Index: tests/regression/Makefile.am
===================================================================
--- tests/regression/Makefile.am	(revision 17c1a8e8744f0689e0dfd763a4ba3027a68fe52a)
+++ tests/regression/Makefile.am	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -11,8 +11,29 @@
 	Graph \
 	Molecules \
-	Regression \
+	Selection \
 	Simple_configuration \
 	Tesselation
 TESTSUITE = $(srcdir)/testsuite
+
+TESTSCRIPTS = \
+	$(srcdir)/testsuite-analysis.at \
+	$(srcdir)/testsuite-domain.at \
+	$(srcdir)/testsuite-filling.at \
+	$(srcdir)/testsuite-fragmentation.at \
+	$(srcdir)/testsuite-graph.at \
+	$(srcdir)/testsuite-molecules.at \
+	$(srcdir)/testsuite-simple_configuration.at \
+	$(srcdir)/Selection/testsuite-selection.at \
+	$(srcdir)/Selection/Atoms/testsuite-selection-all-atoms.at \
+	$(srcdir)/Selection/Atoms/testsuite-selection-atoms-by-element.at \
+	$(srcdir)/Selection/Atoms/testsuite-selection-atom-by-id.at \
+	$(srcdir)/Selection/Atoms/testsuite-selection-atoms-inside-cuboid.at \
+	$(srcdir)/Selection/Atoms/testsuite-selection-atoms-inside-sphere.at \
+	$(srcdir)/Selection/Atoms/testsuite-selection-atoms-of-molecule.at \
+	$(srcdir)/Selection/Atoms/testsuite-selection-clear-atoms.at \
+	$(srcdir)/testsuite-specifics.at \
+	$(srcdir)/testsuite-standard_options.at \
+	$(srcdir)/testsuite-tesselation.at
+
 
 max_jobs = 4
@@ -37,5 +58,5 @@
 
 AUTOTEST = $(AUTOM4TE) --language=autotest
-$(TESTSUITE): $(srcdir)/testsuite.at $(srcdir)/testsuite-*.at
+$(TESTSUITE): $(srcdir)/testsuite.at $(TESTSCRIPTS)
 	$(AUTOTEST) -I '$(srcdir)' -o $@.tmp $@.at
 	mv $@.tmp $@
Index: tests/regression/Selection/1/post/allatoms.xyz
===================================================================
--- tests/regression/Selection/1/post/allatoms.xyz	(revision 17c1a8e8744f0689e0dfd763a4ba3027a68fe52a)
+++ 	(revision )
@@ -1,2 +1,0 @@
-0
-	Created by molecuilder for selection regression test
Index: tests/regression/Selection/1/pre/box.xyz
===================================================================
--- tests/regression/Selection/1/pre/box.xyz	(revision 17c1a8e8744f0689e0dfd763a4ba3027a68fe52a)
+++ 	(revision )
@@ -1,1031 +1,0 @@
-1029
-	Created by molecuilder on Wed Dec  8 00:25:14 2010
-O	0	0	0.504284
-H	0.758602	0	1.00857
-H	0.758602	0	0
-O	0	0	3.36143
-H	0.758602	0	3.86571
-H	0.758602	0	2.85714
-O	0	0	6.21857
-H	0.758602	0	6.72285
-H	0.758602	0	5.71429
-O	0	0	9.07571
-H	0.758602	0	9.58
-H	0.758602	0	8.57143
-O	0	0	11.9329
-H	0.758602	0	12.4371
-H	0.758602	0	11.4286
-O	0	0	14.79
-H	0.758602	0	15.2943
-H	0.758602	0	14.2857
-O	0	0	17.6471
-H	0.758602	0	18.1514
-H	0.758602	0	17.1429
-O	0	2.85714	0.504284
-H	0.758602	2.85714	1.00857
-H	0.758602	2.85714	0
-O	0	2.85714	3.36143
-H	0.758602	2.85714	3.86571
-H	0.758602	2.85714	2.85714
-O	0	2.85714	6.21857
-H	0.758602	2.85714	6.72285
-H	0.758602	2.85714	5.71429
-O	0	2.85714	9.07571
-H	0.758602	2.85714	9.58
-H	0.758602	2.85714	8.57143
-O	0	2.85714	11.9329
-H	0.758602	2.85714	12.4371
-H	0.758602	2.85714	11.4286
-O	0	2.85714	14.79
-H	0.758602	2.85714	15.2943
-H	0.758602	2.85714	14.2857
-O	0	2.85714	17.6471
-H	0.758602	2.85714	18.1514
-H	0.758602	2.85714	17.1429
-O	0	5.71429	0.504284
-H	0.758602	5.71429	1.00857
-H	0.758602	5.71429	0
-O	0	5.71429	3.36143
-H	0.758602	5.71429	3.86571
-H	0.758602	5.71429	2.85714
-O	0	5.71429	6.21857
-H	0.758602	5.71429	6.72285
-H	0.758602	5.71429	5.71429
-O	0	5.71429	9.07571
-H	0.758602	5.71429	9.58
-H	0.758602	5.71429	8.57143
-O	0	5.71429	11.9329
-H	0.758602	5.71429	12.4371
-H	0.758602	5.71429	11.4286
-O	0	5.71429	14.79
-H	0.758602	5.71429	15.2943
-H	0.758602	5.71429	14.2857
-O	0	5.71429	17.6471
-H	0.758602	5.71429	18.1514
-H	0.758602	5.71429	17.1429
-O	0	8.57143	0.504284
-H	0.758602	8.57143	1.00857
-H	0.758602	8.57143	0
-O	0	8.57143	3.36143
-H	0.758602	8.57143	3.86571
-H	0.758602	8.57143	2.85714
-O	0	8.57143	6.21857
-H	0.758602	8.57143	6.72285
-H	0.758602	8.57143	5.71429
-O	0	8.57143	9.07571
-H	0.758602	8.57143	9.58
-H	0.758602	8.57143	8.57143
-O	0	8.57143	11.9329
-H	0.758602	8.57143	12.4371
-H	0.758602	8.57143	11.4286
-O	0	8.57143	14.79
-H	0.758602	8.57143	15.2943
-H	0.758602	8.57143	14.2857
-O	0	8.57143	17.6471
-H	0.758602	8.57143	18.1514
-H	0.758602	8.57143	17.1429
-O	0	11.4286	0.504284
-H	0.758602	11.4286	1.00857
-H	0.758602	11.4286	0
-O	0	11.4286	3.36143
-H	0.758602	11.4286	3.86571
-H	0.758602	11.4286	2.85714
-O	0	11.4286	6.21857
-H	0.758602	11.4286	6.72285
-H	0.758602	11.4286	5.71429
-O	0	11.4286	9.07571
-H	0.758602	11.4286	9.58
-H	0.758602	11.4286	8.57143
-O	0	11.4286	11.9329
-H	0.758602	11.4286	12.4371
-H	0.758602	11.4286	11.4286
-O	0	11.4286	14.79
-H	0.758602	11.4286	15.2943
-H	0.758602	11.4286	14.2857
-O	0	11.4286	17.6471
-H	0.758602	11.4286	18.1514
-H	0.758602	11.4286	17.1429
-O	0	14.2857	0.504284
-H	0.758602	14.2857	1.00857
-H	0.758602	14.2857	0
-O	0	14.2857	3.36143
-H	0.758602	14.2857	3.86571
-H	0.758602	14.2857	2.85714
-O	0	14.2857	6.21857
-H	0.758602	14.2857	6.72285
-H	0.758602	14.2857	5.71429
-O	0	14.2857	9.07571
-H	0.758602	14.2857	9.58
-H	0.758602	14.2857	8.57143
-O	0	14.2857	11.9329
-H	0.758602	14.2857	12.4371
-H	0.758602	14.2857	11.4286
-O	0	14.2857	14.79
-H	0.758602	14.2857	15.2943
-H	0.758602	14.2857	14.2857
-O	0	14.2857	17.6471
-H	0.758602	14.2857	18.1514
-H	0.758602	14.2857	17.1429
-O	0	17.1429	0.504284
-H	0.758602	17.1429	1.00857
-H	0.758602	17.1429	0
-O	0	17.1429	3.36143
-H	0.758602	17.1429	3.86571
-H	0.758602	17.1429	2.85714
-O	0	17.1429	6.21857
-H	0.758602	17.1429	6.72285
-H	0.758602	17.1429	5.71429
-O	0	17.1429	9.07571
-H	0.758602	17.1429	9.58
-H	0.758602	17.1429	8.57143
-O	0	17.1429	11.9329
-H	0.758602	17.1429	12.4371
-H	0.758602	17.1429	11.4286
-O	0	17.1429	14.79
-H	0.758602	17.1429	15.2943
-H	0.758602	17.1429	14.2857
-O	0	17.1429	17.6471
-H	0.758602	17.1429	18.1514
-H	0.758602	17.1429	17.1429
-O	2.85714	0	0.504284
-H	3.61574	0	1.00857
-H	3.61574	0	0
-O	2.85714	0	3.36143
-H	3.61574	0	3.86571
-H	3.61574	0	2.85714
-O	2.85714	0	6.21857
-H	3.61574	0	6.72285
-H	3.61574	0	5.71429
-O	2.85714	0	9.07571
-H	3.61574	0	9.58
-H	3.61574	0	8.57143
-O	2.85714	0	11.9329
-H	3.61574	0	12.4371
-H	3.61574	0	11.4286
-O	2.85714	0	14.79
-H	3.61574	0	15.2943
-H	3.61574	0	14.2857
-O	2.85714	0	17.6471
-H	3.61574	0	18.1514
-H	3.61574	0	17.1429
-O	2.85714	2.85714	0.504284
-H	3.61574	2.85714	1.00857
-H	3.61574	2.85714	0
-O	2.85714	2.85714	3.36143
-H	3.61574	2.85714	3.86571
-H	3.61574	2.85714	2.85714
-O	2.85714	2.85714	6.21857
-H	3.61574	2.85714	6.72285
-H	3.61574	2.85714	5.71429
-O	2.85714	2.85714	9.07571
-H	3.61574	2.85714	9.58
-H	3.61574	2.85714	8.57143
-O	2.85714	2.85714	11.9329
-H	3.61574	2.85714	12.4371
-H	3.61574	2.85714	11.4286
-O	2.85714	2.85714	14.79
-H	3.61574	2.85714	15.2943
-H	3.61574	2.85714	14.2857
-O	2.85714	2.85714	17.6471
-H	3.61574	2.85714	18.1514
-H	3.61574	2.85714	17.1429
-O	2.85714	5.71429	0.504284
-H	3.61574	5.71429	1.00857
-H	3.61574	5.71429	0
-O	2.85714	5.71429	3.36143
-H	3.61574	5.71429	3.86571
-H	3.61574	5.71429	2.85714
-O	2.85714	5.71429	6.21857
-H	3.61574	5.71429	6.72285
-H	3.61574	5.71429	5.71429
-O	2.85714	5.71429	9.07571
-H	3.61574	5.71429	9.58
-H	3.61574	5.71429	8.57143
-O	2.85714	5.71429	11.9329
-H	3.61574	5.71429	12.4371
-H	3.61574	5.71429	11.4286
-O	2.85714	5.71429	14.79
-H	3.61574	5.71429	15.2943
-H	3.61574	5.71429	14.2857
-O	2.85714	5.71429	17.6471
-H	3.61574	5.71429	18.1514
-H	3.61574	5.71429	17.1429
-O	2.85714	8.57143	0.504284
-H	3.61574	8.57143	1.00857
-H	3.61574	8.57143	0
-O	2.85714	8.57143	3.36143
-H	3.61574	8.57143	3.86571
-H	3.61574	8.57143	2.85714
-O	2.85714	8.57143	6.21857
-H	3.61574	8.57143	6.72285
-H	3.61574	8.57143	5.71429
-O	2.85714	8.57143	9.07571
-H	3.61574	8.57143	9.58
-H	3.61574	8.57143	8.57143
-O	2.85714	8.57143	11.9329
-H	3.61574	8.57143	12.4371
-H	3.61574	8.57143	11.4286
-O	2.85714	8.57143	14.79
-H	3.61574	8.57143	15.2943
-H	3.61574	8.57143	14.2857
-O	2.85714	8.57143	17.6471
-H	3.61574	8.57143	18.1514
-H	3.61574	8.57143	17.1429
-O	2.85714	11.4286	0.504284
-H	3.61574	11.4286	1.00857
-H	3.61574	11.4286	0
-O	2.85714	11.4286	3.36143
-H	3.61574	11.4286	3.86571
-H	3.61574	11.4286	2.85714
-O	2.85714	11.4286	6.21857
-H	3.61574	11.4286	6.72285
-H	3.61574	11.4286	5.71429
-O	2.85714	11.4286	9.07571
-H	3.61574	11.4286	9.58
-H	3.61574	11.4286	8.57143
-O	2.85714	11.4286	11.9329
-H	3.61574	11.4286	12.4371
-H	3.61574	11.4286	11.4286
-O	2.85714	11.4286	14.79
-H	3.61574	11.4286	15.2943
-H	3.61574	11.4286	14.2857
-O	2.85714	11.4286	17.6471
-H	3.61574	11.4286	18.1514
-H	3.61574	11.4286	17.1429
-O	2.85714	14.2857	0.504284
-H	3.61574	14.2857	1.00857
-H	3.61574	14.2857	0
-O	2.85714	14.2857	3.36143
-H	3.61574	14.2857	3.86571
-H	3.61574	14.2857	2.85714
-O	2.85714	14.2857	6.21857
-H	3.61574	14.2857	6.72285
-H	3.61574	14.2857	5.71429
-O	2.85714	14.2857	9.07571
-H	3.61574	14.2857	9.58
-H	3.61574	14.2857	8.57143
-O	2.85714	14.2857	11.9329
-H	3.61574	14.2857	12.4371
-H	3.61574	14.2857	11.4286
-O	2.85714	14.2857	14.79
-H	3.61574	14.2857	15.2943
-H	3.61574	14.2857	14.2857
-O	2.85714	14.2857	17.6471
-H	3.61574	14.2857	18.1514
-H	3.61574	14.2857	17.1429
-O	2.85714	17.1429	0.504284
-H	3.61574	17.1429	1.00857
-H	3.61574	17.1429	0
-O	2.85714	17.1429	3.36143
-H	3.61574	17.1429	3.86571
-H	3.61574	17.1429	2.85714
-O	2.85714	17.1429	6.21857
-H	3.61574	17.1429	6.72285
-H	3.61574	17.1429	5.71429
-O	2.85714	17.1429	9.07571
-H	3.61574	17.1429	9.58
-H	3.61574	17.1429	8.57143
-O	2.85714	17.1429	11.9329
-H	3.61574	17.1429	12.4371
-H	3.61574	17.1429	11.4286
-O	2.85714	17.1429	14.79
-H	3.61574	17.1429	15.2943
-H	3.61574	17.1429	14.2857
-O	2.85714	17.1429	17.6471
-H	3.61574	17.1429	18.1514
-H	3.61574	17.1429	17.1429
-O	5.71429	0	0.504284
-H	6.47289	0	1.00857
-H	6.47289	0	0
-O	5.71429	0	3.36143
-H	6.47289	0	3.86571
-H	6.47289	0	2.85714
-O	5.71429	0	6.21857
-H	6.47289	0	6.72285
-H	6.47289	0	5.71429
-O	5.71429	0	9.07571
-H	6.47289	0	9.58
-H	6.47289	0	8.57143
-O	5.71429	0	11.9329
-H	6.47289	0	12.4371
-H	6.47289	0	11.4286
-O	5.71429	0	14.79
-H	6.47289	0	15.2943
-H	6.47289	0	14.2857
-O	5.71429	0	17.6471
-H	6.47289	0	18.1514
-H	6.47289	0	17.1429
-O	5.71429	2.85714	0.504284
-H	6.47289	2.85714	1.00857
-H	6.47289	2.85714	0
-O	5.71429	2.85714	3.36143
-H	6.47289	2.85714	3.86571
-H	6.47289	2.85714	2.85714
-O	5.71429	2.85714	6.21857
-H	6.47289	2.85714	6.72285
-H	6.47289	2.85714	5.71429
-O	5.71429	2.85714	9.07571
-H	6.47289	2.85714	9.58
-H	6.47289	2.85714	8.57143
-O	5.71429	2.85714	11.9329
-H	6.47289	2.85714	12.4371
-H	6.47289	2.85714	11.4286
-O	5.71429	2.85714	14.79
-H	6.47289	2.85714	15.2943
-H	6.47289	2.85714	14.2857
-O	5.71429	2.85714	17.6471
-H	6.47289	2.85714	18.1514
-H	6.47289	2.85714	17.1429
-O	5.71429	5.71429	0.504284
-H	6.47289	5.71429	1.00857
-H	6.47289	5.71429	0
-O	5.71429	5.71429	3.36143
-H	6.47289	5.71429	3.86571
-H	6.47289	5.71429	2.85714
-O	5.71429	5.71429	6.21857
-H	6.47289	5.71429	6.72285
-H	6.47289	5.71429	5.71429
-O	5.71429	5.71429	9.07571
-H	6.47289	5.71429	9.58
-H	6.47289	5.71429	8.57143
-O	5.71429	5.71429	11.9329
-H	6.47289	5.71429	12.4371
-H	6.47289	5.71429	11.4286
-O	5.71429	5.71429	14.79
-H	6.47289	5.71429	15.2943
-H	6.47289	5.71429	14.2857
-O	5.71429	5.71429	17.6471
-H	6.47289	5.71429	18.1514
-H	6.47289	5.71429	17.1429
-O	5.71429	8.57143	0.504284
-H	6.47289	8.57143	1.00857
-H	6.47289	8.57143	0
-O	5.71429	8.57143	3.36143
-H	6.47289	8.57143	3.86571
-H	6.47289	8.57143	2.85714
-O	5.71429	8.57143	6.21857
-H	6.47289	8.57143	6.72285
-H	6.47289	8.57143	5.71429
-O	5.71429	8.57143	9.07571
-H	6.47289	8.57143	9.58
-H	6.47289	8.57143	8.57143
-O	5.71429	8.57143	11.9329
-H	6.47289	8.57143	12.4371
-H	6.47289	8.57143	11.4286
-O	5.71429	8.57143	14.79
-H	6.47289	8.57143	15.2943
-H	6.47289	8.57143	14.2857
-O	5.71429	8.57143	17.6471
-H	6.47289	8.57143	18.1514
-H	6.47289	8.57143	17.1429
-O	5.71429	11.4286	0.504284
-H	6.47289	11.4286	1.00857
-H	6.47289	11.4286	0
-O	5.71429	11.4286	3.36143
-H	6.47289	11.4286	3.86571
-H	6.47289	11.4286	2.85714
-O	5.71429	11.4286	6.21857
-H	6.47289	11.4286	6.72285
-H	6.47289	11.4286	5.71429
-O	5.71429	11.4286	9.07571
-H	6.47289	11.4286	9.58
-H	6.47289	11.4286	8.57143
-O	5.71429	11.4286	11.9329
-H	6.47289	11.4286	12.4371
-H	6.47289	11.4286	11.4286
-O	5.71429	11.4286	14.79
-H	6.47289	11.4286	15.2943
-H	6.47289	11.4286	14.2857
-O	5.71429	11.4286	17.6471
-H	6.47289	11.4286	18.1514
-H	6.47289	11.4286	17.1429
-O	5.71429	14.2857	0.504284
-H	6.47289	14.2857	1.00857
-H	6.47289	14.2857	0
-O	5.71429	14.2857	3.36143
-H	6.47289	14.2857	3.86571
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-O	5.71429	14.2857	14.79
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-O	5.71429	17.1429	3.36143
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-H	6.47289	17.1429	8.57143
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-H	6.47289	17.1429	12.4371
-H	6.47289	17.1429	11.4286
-O	5.71429	17.1429	14.79
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-H	6.47289	17.1429	14.2857
-O	5.71429	17.1429	17.6471
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-O	8.57143	5.71429	14.79
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-O	8.57143	8.57143	14.79
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-O	8.57143	11.4286	3.36143
-H	9.33003	11.4286	3.86571
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-O	8.57143	11.4286	9.07571
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-H	9.33003	11.4286	11.4286
-O	8.57143	11.4286	14.79
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-O	8.57143	17.1429	3.36143
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-O	8.57143	17.1429	14.79
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-O	11.4286	2.85714	14.79
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-O	11.4286	5.71429	14.79
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-O	11.4286	8.57143	14.79
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-O	14.2857	5.71429	9.07571
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-O	14.2857	5.71429	14.79
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-O	14.2857	8.57143	11.9329
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-O	14.2857	8.57143	14.79
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-O	14.2857	11.4286	0.504284
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-O	14.2857	11.4286	3.36143
-H	15.0443	11.4286	3.86571
-H	15.0443	11.4286	2.85714
-O	14.2857	11.4286	6.21857
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-O	14.2857	11.4286	9.07571
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-O	14.2857	11.4286	11.9329
-H	15.0443	11.4286	12.4371
-H	15.0443	11.4286	11.4286
-O	14.2857	11.4286	14.79
-H	15.0443	11.4286	15.2943
-H	15.0443	11.4286	14.2857
-O	14.2857	11.4286	17.6471
-H	15.0443	11.4286	18.1514
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-O	14.2857	14.2857	0.504284
-H	15.0443	14.2857	1.00857
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-O	14.2857	14.2857	3.36143
-H	15.0443	14.2857	3.86571
-H	15.0443	14.2857	2.85714
-O	14.2857	14.2857	6.21857
-H	15.0443	14.2857	6.72285
-H	15.0443	14.2857	5.71429
-O	14.2857	14.2857	9.07571
-H	15.0443	14.2857	9.58
-H	15.0443	14.2857	8.57143
-O	14.2857	14.2857	11.9329
-H	15.0443	14.2857	12.4371
-H	15.0443	14.2857	11.4286
-O	14.2857	14.2857	14.79
-H	15.0443	14.2857	15.2943
-H	15.0443	14.2857	14.2857
-O	14.2857	14.2857	17.6471
-H	15.0443	14.2857	18.1514
-H	15.0443	14.2857	17.1429
-O	14.2857	17.1429	0.504284
-H	15.0443	17.1429	1.00857
-H	15.0443	17.1429	0
-O	14.2857	17.1429	3.36143
-H	15.0443	17.1429	3.86571
-H	15.0443	17.1429	2.85714
-O	14.2857	17.1429	6.21857
-H	15.0443	17.1429	6.72285
-H	15.0443	17.1429	5.71429
-O	14.2857	17.1429	9.07571
-H	15.0443	17.1429	9.58
-H	15.0443	17.1429	8.57143
-O	14.2857	17.1429	11.9329
-H	15.0443	17.1429	12.4371
-H	15.0443	17.1429	11.4286
-O	14.2857	17.1429	14.79
-H	15.0443	17.1429	15.2943
-H	15.0443	17.1429	14.2857
-O	14.2857	17.1429	17.6471
-H	15.0443	17.1429	18.1514
-H	15.0443	17.1429	17.1429
-O	17.1429	0	0.504284
-H	17.9015	0	1.00857
-H	17.9015	0	0
-O	17.1429	0	3.36143
-H	17.9015	0	3.86571
-H	17.9015	0	2.85714
-O	17.1429	0	6.21857
-H	17.9015	0	6.72285
-H	17.9015	0	5.71429
-O	17.1429	0	9.07571
-H	17.9015	0	9.58
-H	17.9015	0	8.57143
-O	17.1429	0	11.9329
-H	17.9015	0	12.4371
-H	17.9015	0	11.4286
-O	17.1429	0	14.79
-H	17.9015	0	15.2943
-H	17.9015	0	14.2857
-O	17.1429	0	17.6471
-H	17.9015	0	18.1514
-H	17.9015	0	17.1429
-O	17.1429	2.85714	0.504284
-H	17.9015	2.85714	1.00857
-H	17.9015	2.85714	0
-O	17.1429	2.85714	3.36143
-H	17.9015	2.85714	3.86571
-H	17.9015	2.85714	2.85714
-O	17.1429	2.85714	6.21857
-H	17.9015	2.85714	6.72285
-H	17.9015	2.85714	5.71429
-O	17.1429	2.85714	9.07571
-H	17.9015	2.85714	9.58
-H	17.9015	2.85714	8.57143
-O	17.1429	2.85714	11.9329
-H	17.9015	2.85714	12.4371
-H	17.9015	2.85714	11.4286
-O	17.1429	2.85714	14.79
-H	17.9015	2.85714	15.2943
-H	17.9015	2.85714	14.2857
-O	17.1429	2.85714	17.6471
-H	17.9015	2.85714	18.1514
-H	17.9015	2.85714	17.1429
-O	17.1429	5.71429	0.504284
-H	17.9015	5.71429	1.00857
-H	17.9015	5.71429	0
-O	17.1429	5.71429	3.36143
-H	17.9015	5.71429	3.86571
-H	17.9015	5.71429	2.85714
-O	17.1429	5.71429	6.21857
-H	17.9015	5.71429	6.72285
-H	17.9015	5.71429	5.71429
-O	17.1429	5.71429	9.07571
-H	17.9015	5.71429	9.58
-H	17.9015	5.71429	8.57143
-O	17.1429	5.71429	11.9329
-H	17.9015	5.71429	12.4371
-H	17.9015	5.71429	11.4286
-O	17.1429	5.71429	14.79
-H	17.9015	5.71429	15.2943
-H	17.9015	5.71429	14.2857
-O	17.1429	5.71429	17.6471
-H	17.9015	5.71429	18.1514
-H	17.9015	5.71429	17.1429
-O	17.1429	8.57143	0.504284
-H	17.9015	8.57143	1.00857
-H	17.9015	8.57143	0
-O	17.1429	8.57143	3.36143
-H	17.9015	8.57143	3.86571
-H	17.9015	8.57143	2.85714
-O	17.1429	8.57143	6.21857
-H	17.9015	8.57143	6.72285
-H	17.9015	8.57143	5.71429
-O	17.1429	8.57143	9.07571
-H	17.9015	8.57143	9.58
-H	17.9015	8.57143	8.57143
-O	17.1429	8.57143	11.9329
-H	17.9015	8.57143	12.4371
-H	17.9015	8.57143	11.4286
-O	17.1429	8.57143	14.79
-H	17.9015	8.57143	15.2943
-H	17.9015	8.57143	14.2857
-O	17.1429	8.57143	17.6471
-H	17.9015	8.57143	18.1514
-H	17.9015	8.57143	17.1429
-O	17.1429	11.4286	0.504284
-H	17.9015	11.4286	1.00857
-H	17.9015	11.4286	0
-O	17.1429	11.4286	3.36143
-H	17.9015	11.4286	3.86571
-H	17.9015	11.4286	2.85714
-O	17.1429	11.4286	6.21857
-H	17.9015	11.4286	6.72285
-H	17.9015	11.4286	5.71429
-O	17.1429	11.4286	9.07571
-H	17.9015	11.4286	9.58
-H	17.9015	11.4286	8.57143
-O	17.1429	11.4286	11.9329
-H	17.9015	11.4286	12.4371
-H	17.9015	11.4286	11.4286
-O	17.1429	11.4286	14.79
-H	17.9015	11.4286	15.2943
-H	17.9015	11.4286	14.2857
-O	17.1429	11.4286	17.6471
-H	17.9015	11.4286	18.1514
-H	17.9015	11.4286	17.1429
-O	17.1429	14.2857	0.504284
-H	17.9015	14.2857	1.00857
-H	17.9015	14.2857	0
-O	17.1429	14.2857	3.36143
-H	17.9015	14.2857	3.86571
-H	17.9015	14.2857	2.85714
-O	17.1429	14.2857	6.21857
-H	17.9015	14.2857	6.72285
-H	17.9015	14.2857	5.71429
-O	17.1429	14.2857	9.07571
-H	17.9015	14.2857	9.58
-H	17.9015	14.2857	8.57143
-O	17.1429	14.2857	11.9329
-H	17.9015	14.2857	12.4371
-H	17.9015	14.2857	11.4286
-O	17.1429	14.2857	14.79
-H	17.9015	14.2857	15.2943
-H	17.9015	14.2857	14.2857
-O	17.1429	14.2857	17.6471
-H	17.9015	14.2857	18.1514
-H	17.9015	14.2857	17.1429
-O	17.1429	17.1429	0.504284
-H	17.9015	17.1429	1.00857
-H	17.9015	17.1429	0
-O	17.1429	17.1429	3.36143
-H	17.9015	17.1429	3.86571
-H	17.9015	17.1429	2.85714
-O	17.1429	17.1429	6.21857
-H	17.9015	17.1429	6.72285
-H	17.9015	17.1429	5.71429
-O	17.1429	17.1429	9.07571
-H	17.9015	17.1429	9.58
-H	17.9015	17.1429	8.57143
-O	17.1429	17.1429	11.9329
-H	17.9015	17.1429	12.4371
-H	17.9015	17.1429	11.4286
-O	17.1429	17.1429	14.79
-H	17.9015	17.1429	15.2943
-H	17.9015	17.1429	14.2857
-O	17.1429	17.1429	17.6471
-H	17.9015	17.1429	18.1514
-H	17.9015	17.1429	17.1429
Index: tests/regression/Selection/Atoms/1/post/allatoms.xyz
===================================================================
--- tests/regression/Selection/Atoms/1/post/allatoms.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/1/post/allatoms.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,2 @@
+0
+	Created by molecuilder for select-all-atoms test
Index: tests/regression/Selection/Atoms/1/post/id0_missing.xyz
===================================================================
--- tests/regression/Selection/Atoms/1/post/id0_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/1/post/id0_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,1030 @@
+1028
+	Created by molecuilder for unselect-all-atoms test
+H	0.758602	0	1.00857
+H	0.758602	0	0
+O	0	0	3.36143
+H	0.758602	0	3.86571
+H	0.758602	0	2.85714
+O	0	0	6.21857
+H	0.758602	0	6.72285
+H	0.758602	0	5.71429
+O	0	0	9.07571
+H	0.758602	0	9.58
+H	0.758602	0	8.57143
+O	0	0	11.9329
+H	0.758602	0	12.4371
+H	0.758602	0	11.4286
+O	0	0	14.79
+H	0.758602	0	15.2943
+H	0.758602	0	14.2857
+O	0	0	17.6471
+H	0.758602	0	18.1514
+H	0.758602	0	17.1429
+O	0	2.85714	0.504284
+H	0.758602	2.85714	1.00857
+H	0.758602	2.85714	0
+O	0	2.85714	3.36143
+H	0.758602	2.85714	3.86571
+H	0.758602	2.85714	2.85714
+O	0	2.85714	6.21857
+H	0.758602	2.85714	6.72285
+H	0.758602	2.85714	5.71429
+O	0	2.85714	9.07571
+H	0.758602	2.85714	9.58
+H	0.758602	2.85714	8.57143
+O	0	2.85714	11.9329
+H	0.758602	2.85714	12.4371
+H	0.758602	2.85714	11.4286
+O	0	2.85714	14.79
+H	0.758602	2.85714	15.2943
+H	0.758602	2.85714	14.2857
+O	0	2.85714	17.6471
+H	0.758602	2.85714	18.1514
+H	0.758602	2.85714	17.1429
+O	0	5.71429	0.504284
+H	0.758602	5.71429	1.00857
+H	0.758602	5.71429	0
+O	0	5.71429	3.36143
+H	0.758602	5.71429	3.86571
+H	0.758602	5.71429	2.85714
+O	0	5.71429	6.21857
+H	0.758602	5.71429	6.72285
+H	0.758602	5.71429	5.71429
+O	0	5.71429	9.07571
+H	0.758602	5.71429	9.58
+H	0.758602	5.71429	8.57143
+O	0	5.71429	11.9329
+H	0.758602	5.71429	12.4371
+H	0.758602	5.71429	11.4286
+O	0	5.71429	14.79
+H	0.758602	5.71429	15.2943
+H	0.758602	5.71429	14.2857
+O	0	5.71429	17.6471
+H	0.758602	5.71429	18.1514
+H	0.758602	5.71429	17.1429
+O	0	8.57143	0.504284
+H	0.758602	8.57143	1.00857
+H	0.758602	8.57143	0
+O	0	8.57143	3.36143
+H	0.758602	8.57143	3.86571
+H	0.758602	8.57143	2.85714
+O	0	8.57143	6.21857
+H	0.758602	8.57143	6.72285
+H	0.758602	8.57143	5.71429
+O	0	8.57143	9.07571
+H	0.758602	8.57143	9.58
+H	0.758602	8.57143	8.57143
+O	0	8.57143	11.9329
+H	0.758602	8.57143	12.4371
+H	0.758602	8.57143	11.4286
+O	0	8.57143	14.79
+H	0.758602	8.57143	15.2943
+H	0.758602	8.57143	14.2857
+O	0	8.57143	17.6471
+H	0.758602	8.57143	18.1514
+H	0.758602	8.57143	17.1429
+O	0	11.4286	0.504284
+H	0.758602	11.4286	1.00857
+H	0.758602	11.4286	0
+O	0	11.4286	3.36143
+H	0.758602	11.4286	3.86571
+H	0.758602	11.4286	2.85714
+O	0	11.4286	6.21857
+H	0.758602	11.4286	6.72285
+H	0.758602	11.4286	5.71429
+O	0	11.4286	9.07571
+H	0.758602	11.4286	9.58
+H	0.758602	11.4286	8.57143
+O	0	11.4286	11.9329
+H	0.758602	11.4286	12.4371
+H	0.758602	11.4286	11.4286
+O	0	11.4286	14.79
+H	0.758602	11.4286	15.2943
+H	0.758602	11.4286	14.2857
+O	0	11.4286	17.6471
+H	0.758602	11.4286	18.1514
+H	0.758602	11.4286	17.1429
+O	0	14.2857	0.504284
+H	0.758602	14.2857	1.00857
+H	0.758602	14.2857	0
+O	0	14.2857	3.36143
+H	0.758602	14.2857	3.86571
+H	0.758602	14.2857	2.85714
+O	0	14.2857	6.21857
+H	0.758602	14.2857	6.72285
+H	0.758602	14.2857	5.71429
+O	0	14.2857	9.07571
+H	0.758602	14.2857	9.58
+H	0.758602	14.2857	8.57143
+O	0	14.2857	11.9329
+H	0.758602	14.2857	12.4371
+H	0.758602	14.2857	11.4286
+O	0	14.2857	14.79
+H	0.758602	14.2857	15.2943
+H	0.758602	14.2857	14.2857
+O	0	14.2857	17.6471
+H	0.758602	14.2857	18.1514
+H	0.758602	14.2857	17.1429
+O	0	17.1429	0.504284
+H	0.758602	17.1429	1.00857
+H	0.758602	17.1429	0
+O	0	17.1429	3.36143
+H	0.758602	17.1429	3.86571
+H	0.758602	17.1429	2.85714
+O	0	17.1429	6.21857
+H	0.758602	17.1429	6.72285
+H	0.758602	17.1429	5.71429
+O	0	17.1429	9.07571
+H	0.758602	17.1429	9.58
+H	0.758602	17.1429	8.57143
+O	0	17.1429	11.9329
+H	0.758602	17.1429	12.4371
+H	0.758602	17.1429	11.4286
+O	0	17.1429	14.79
+H	0.758602	17.1429	15.2943
+H	0.758602	17.1429	14.2857
+O	0	17.1429	17.6471
+H	0.758602	17.1429	18.1514
+H	0.758602	17.1429	17.1429
+O	2.85714	0	0.504284
+H	3.61574	0	1.00857
+H	3.61574	0	0
+O	2.85714	0	3.36143
+H	3.61574	0	3.86571
+H	3.61574	0	2.85714
+O	2.85714	0	6.21857
+H	3.61574	0	6.72285
+H	3.61574	0	5.71429
+O	2.85714	0	9.07571
+H	3.61574	0	9.58
+H	3.61574	0	8.57143
+O	2.85714	0	11.9329
+H	3.61574	0	12.4371
+H	3.61574	0	11.4286
+O	2.85714	0	14.79
+H	3.61574	0	15.2943
+H	3.61574	0	14.2857
+O	2.85714	0	17.6471
+H	3.61574	0	18.1514
+H	3.61574	0	17.1429
+O	2.85714	2.85714	0.504284
+H	3.61574	2.85714	1.00857
+H	3.61574	2.85714	0
+O	2.85714	2.85714	3.36143
+H	3.61574	2.85714	3.86571
+H	3.61574	2.85714	2.85714
+O	2.85714	2.85714	6.21857
+H	3.61574	2.85714	6.72285
+H	3.61574	2.85714	5.71429
+O	2.85714	2.85714	9.07571
+H	3.61574	2.85714	9.58
+H	3.61574	2.85714	8.57143
+O	2.85714	2.85714	11.9329
+H	3.61574	2.85714	12.4371
+H	3.61574	2.85714	11.4286
+O	2.85714	2.85714	14.79
+H	3.61574	2.85714	15.2943
+H	3.61574	2.85714	14.2857
+O	2.85714	2.85714	17.6471
+H	3.61574	2.85714	18.1514
+H	3.61574	2.85714	17.1429
+O	2.85714	5.71429	0.504284
+H	3.61574	5.71429	1.00857
+H	3.61574	5.71429	0
+O	2.85714	5.71429	3.36143
+H	3.61574	5.71429	3.86571
+H	3.61574	5.71429	2.85714
+O	2.85714	5.71429	6.21857
+H	3.61574	5.71429	6.72285
+H	3.61574	5.71429	5.71429
+O	2.85714	5.71429	9.07571
+H	3.61574	5.71429	9.58
+H	3.61574	5.71429	8.57143
+O	2.85714	5.71429	11.9329
+H	3.61574	5.71429	12.4371
+H	3.61574	5.71429	11.4286
+O	2.85714	5.71429	14.79
+H	3.61574	5.71429	15.2943
+H	3.61574	5.71429	14.2857
+O	2.85714	5.71429	17.6471
+H	3.61574	5.71429	18.1514
+H	3.61574	5.71429	17.1429
+O	2.85714	8.57143	0.504284
+H	3.61574	8.57143	1.00857
+H	3.61574	8.57143	0
+O	2.85714	8.57143	3.36143
+H	3.61574	8.57143	3.86571
+H	3.61574	8.57143	2.85714
+O	2.85714	8.57143	6.21857
+H	3.61574	8.57143	6.72285
+H	3.61574	8.57143	5.71429
+O	2.85714	8.57143	9.07571
+H	3.61574	8.57143	9.58
+H	3.61574	8.57143	8.57143
+O	2.85714	8.57143	11.9329
+H	3.61574	8.57143	12.4371
+H	3.61574	8.57143	11.4286
+O	2.85714	8.57143	14.79
+H	3.61574	8.57143	15.2943
+H	3.61574	8.57143	14.2857
+O	2.85714	8.57143	17.6471
+H	3.61574	8.57143	18.1514
+H	3.61574	8.57143	17.1429
+O	2.85714	11.4286	0.504284
+H	3.61574	11.4286	1.00857
+H	3.61574	11.4286	0
+O	2.85714	11.4286	3.36143
+H	3.61574	11.4286	3.86571
+H	3.61574	11.4286	2.85714
+O	2.85714	11.4286	6.21857
+H	3.61574	11.4286	6.72285
+H	3.61574	11.4286	5.71429
+O	2.85714	11.4286	9.07571
+H	3.61574	11.4286	9.58
+H	3.61574	11.4286	8.57143
+O	2.85714	11.4286	11.9329
+H	3.61574	11.4286	12.4371
+H	3.61574	11.4286	11.4286
+O	2.85714	11.4286	14.79
+H	3.61574	11.4286	15.2943
+H	3.61574	11.4286	14.2857
+O	2.85714	11.4286	17.6471
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+H	17.9015	17.1429	12.4371
+H	17.9015	17.1429	11.4286
+O	17.1429	17.1429	14.79
+H	17.9015	17.1429	15.2943
+H	17.9015	17.1429	14.2857
+O	17.1429	17.1429	17.6471
+H	17.9015	17.1429	18.1514
+H	17.9015	17.1429	17.1429
Index: tests/regression/Selection/Atoms/1/pre/box.xyz
===================================================================
--- tests/regression/Selection/Atoms/1/pre/box.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/1/pre/box.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,1031 @@
+1029
+	Created by molecuilder on Wed Dec  8 00:25:14 2010
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+H	17.9015	14.2857	6.72285
+H	17.9015	14.2857	5.71429
+O	17.1429	14.2857	9.07571
+H	17.9015	14.2857	9.58
+H	17.9015	14.2857	8.57143
+O	17.1429	14.2857	11.9329
+H	17.9015	14.2857	12.4371
+H	17.9015	14.2857	11.4286
+O	17.1429	14.2857	14.79
+H	17.9015	14.2857	15.2943
+H	17.9015	14.2857	14.2857
+O	17.1429	14.2857	17.6471
+H	17.9015	14.2857	18.1514
+H	17.9015	14.2857	17.1429
+O	17.1429	17.1429	0.504284
+H	17.9015	17.1429	1.00857
+H	17.9015	17.1429	0
+O	17.1429	17.1429	3.36143
+H	17.9015	17.1429	3.86571
+H	17.9015	17.1429	2.85714
+O	17.1429	17.1429	6.21857
+H	17.9015	17.1429	6.72285
+H	17.9015	17.1429	5.71429
+O	17.1429	17.1429	9.07571
+H	17.9015	17.1429	9.58
+H	17.9015	17.1429	8.57143
+O	17.1429	17.1429	11.9329
+H	17.9015	17.1429	12.4371
+H	17.9015	17.1429	11.4286
+O	17.1429	17.1429	14.79
+H	17.9015	17.1429	15.2943
+H	17.9015	17.1429	14.2857
+O	17.1429	17.1429	17.6471
+H	17.9015	17.1429	18.1514
+H	17.9015	17.1429	17.1429
Index: tests/regression/Selection/Atoms/2/post/allatomsinsidecuboid.xyz
===================================================================
--- tests/regression/Selection/Atoms/2/post/allatomsinsidecuboid.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/2/post/allatomsinsidecuboid.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,194 @@
+192
+	Created by molecuilder on Fri Dec 10 17:55:17 2010
+O	0	0	0.504284
+H	0.758602	0	1.00857
+H	0.758602	0	0
+O	0	0	3.36143
+H	0.758602	0	3.86571
+H	0.758602	0	2.85714
+O	0	0	6.21857
+H	0.758602	0	6.72285
+H	0.758602	0	5.71429
+O	0	0	9.07571
+H	0.758602	0	9.58
+H	0.758602	0	8.57143
+O	0	2.85714	0.504284
+H	0.758602	2.85714	1.00857
+H	0.758602	2.85714	0
+O	0	2.85714	3.36143
+H	0.758602	2.85714	3.86571
+H	0.758602	2.85714	2.85714
+O	0	2.85714	6.21857
+H	0.758602	2.85714	6.72285
+H	0.758602	2.85714	5.71429
+O	0	2.85714	9.07571
+H	0.758602	2.85714	9.58
+H	0.758602	2.85714	8.57143
+O	0	5.71429	0.504284
+H	0.758602	5.71429	1.00857
+H	0.758602	5.71429	0
+O	0	5.71429	3.36143
+H	0.758602	5.71429	3.86571
+H	0.758602	5.71429	2.85714
+O	0	5.71429	6.21857
+H	0.758602	5.71429	6.72285
+H	0.758602	5.71429	5.71429
+O	0	5.71429	9.07571
+H	0.758602	5.71429	9.58
+H	0.758602	5.71429	8.57143
+O	0	8.57143	0.504284
+H	0.758602	8.57143	1.00857
+H	0.758602	8.57143	0
+O	0	8.57143	3.36143
+H	0.758602	8.57143	3.86571
+H	0.758602	8.57143	2.85714
+O	0	8.57143	6.21857
+H	0.758602	8.57143	6.72285
+H	0.758602	8.57143	5.71429
+O	0	8.57143	9.07571
+H	0.758602	8.57143	9.58
+H	0.758602	8.57143	8.57143
+O	2.85714	0	0.504284
+H	3.61574	0	1.00857
+H	3.61574	0	0
+O	2.85714	0	3.36143
+H	3.61574	0	3.86571
+H	3.61574	0	2.85714
+O	2.85714	0	6.21857
+H	3.61574	0	6.72285
+H	3.61574	0	5.71429
+O	2.85714	0	9.07571
+H	3.61574	0	9.58
+H	3.61574	0	8.57143
+O	2.85714	2.85714	0.504284
+H	3.61574	2.85714	1.00857
+H	3.61574	2.85714	0
+O	2.85714	2.85714	3.36143
+H	3.61574	2.85714	3.86571
+H	3.61574	2.85714	2.85714
+O	2.85714	2.85714	6.21857
+H	3.61574	2.85714	6.72285
+H	3.61574	2.85714	5.71429
+O	2.85714	2.85714	9.07571
+H	3.61574	2.85714	9.58
+H	3.61574	2.85714	8.57143
+O	2.85714	5.71429	0.504284
+H	3.61574	5.71429	1.00857
+H	3.61574	5.71429	0
+O	2.85714	5.71429	3.36143
+H	3.61574	5.71429	3.86571
+H	3.61574	5.71429	2.85714
+O	2.85714	5.71429	6.21857
+H	3.61574	5.71429	6.72285
+H	3.61574	5.71429	5.71429
+O	2.85714	5.71429	9.07571
+H	3.61574	5.71429	9.58
+H	3.61574	5.71429	8.57143
+O	2.85714	8.57143	0.504284
+H	3.61574	8.57143	1.00857
+H	3.61574	8.57143	0
+O	2.85714	8.57143	3.36143
+H	3.61574	8.57143	3.86571
+H	3.61574	8.57143	2.85714
+O	2.85714	8.57143	6.21857
+H	3.61574	8.57143	6.72285
+H	3.61574	8.57143	5.71429
+O	2.85714	8.57143	9.07571
+H	3.61574	8.57143	9.58
+H	3.61574	8.57143	8.57143
+O	5.71429	0	0.504284
+H	6.47289	0	1.00857
+H	6.47289	0	0
+O	5.71429	0	3.36143
+H	6.47289	0	3.86571
+H	6.47289	0	2.85714
+O	5.71429	0	6.21857
+H	6.47289	0	6.72285
+H	6.47289	0	5.71429
+O	5.71429	0	9.07571
+H	6.47289	0	9.58
+H	6.47289	0	8.57143
+O	5.71429	2.85714	0.504284
+H	6.47289	2.85714	1.00857
+H	6.47289	2.85714	0
+O	5.71429	2.85714	3.36143
+H	6.47289	2.85714	3.86571
+H	6.47289	2.85714	2.85714
+O	5.71429	2.85714	6.21857
+H	6.47289	2.85714	6.72285
+H	6.47289	2.85714	5.71429
+O	5.71429	2.85714	9.07571
+H	6.47289	2.85714	9.58
+H	6.47289	2.85714	8.57143
+O	5.71429	5.71429	0.504284
+H	6.47289	5.71429	1.00857
+H	6.47289	5.71429	0
+O	5.71429	5.71429	3.36143
+H	6.47289	5.71429	3.86571
+H	6.47289	5.71429	2.85714
+O	5.71429	5.71429	6.21857
+H	6.47289	5.71429	6.72285
+H	6.47289	5.71429	5.71429
+O	5.71429	5.71429	9.07571
+H	6.47289	5.71429	9.58
+H	6.47289	5.71429	8.57143
+O	5.71429	8.57143	0.504284
+H	6.47289	8.57143	1.00857
+H	6.47289	8.57143	0
+O	5.71429	8.57143	3.36143
+H	6.47289	8.57143	3.86571
+H	6.47289	8.57143	2.85714
+O	5.71429	8.57143	6.21857
+H	6.47289	8.57143	6.72285
+H	6.47289	8.57143	5.71429
+O	5.71429	8.57143	9.07571
+H	6.47289	8.57143	9.58
+H	6.47289	8.57143	8.57143
+O	8.57143	0	0.504284
+H	9.33003	0	1.00857
+H	9.33003	0	0
+O	8.57143	0	3.36143
+H	9.33003	0	3.86571
+H	9.33003	0	2.85714
+O	8.57143	0	6.21857
+H	9.33003	0	6.72285
+H	9.33003	0	5.71429
+O	8.57143	0	9.07571
+H	9.33003	0	9.58
+H	9.33003	0	8.57143
+O	8.57143	2.85714	0.504284
+H	9.33003	2.85714	1.00857
+H	9.33003	2.85714	0
+O	8.57143	2.85714	3.36143
+H	9.33003	2.85714	3.86571
+H	9.33003	2.85714	2.85714
+O	8.57143	2.85714	6.21857
+H	9.33003	2.85714	6.72285
+H	9.33003	2.85714	5.71429
+O	8.57143	2.85714	9.07571
+H	9.33003	2.85714	9.58
+H	9.33003	2.85714	8.57143
+O	8.57143	5.71429	0.504284
+H	9.33003	5.71429	1.00857
+H	9.33003	5.71429	0
+O	8.57143	5.71429	3.36143
+H	9.33003	5.71429	3.86571
+H	9.33003	5.71429	2.85714
+O	8.57143	5.71429	6.21857
+H	9.33003	5.71429	6.72285
+H	9.33003	5.71429	5.71429
+O	8.57143	5.71429	9.07571
+H	9.33003	5.71429	9.58
+H	9.33003	5.71429	8.57143
+O	8.57143	8.57143	0.504284
+H	9.33003	8.57143	1.00857
+H	9.33003	8.57143	0
+O	8.57143	8.57143	3.36143
+H	9.33003	8.57143	3.86571
+H	9.33003	8.57143	2.85714
+O	8.57143	8.57143	6.21857
+H	9.33003	8.57143	6.72285
+H	9.33003	8.57143	5.71429
+O	8.57143	8.57143	9.07571
+H	9.33003	8.57143	9.58
+H	9.33003	8.57143	8.57143
Index: tests/regression/Selection/Atoms/2/post/allatomsoutsidecuboid.xyz
===================================================================
--- tests/regression/Selection/Atoms/2/post/allatomsoutsidecuboid.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/2/post/allatomsoutsidecuboid.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,839 @@
+837
+	Created by molecuilder on Fri Dec 10 17:42:57 2010
+O	0	0	11.9329
+H	0.758602	0	12.4371
+H	0.758602	0	11.4286
+O	0	0	14.79
+H	0.758602	0	15.2943
+H	0.758602	0	14.2857
+O	0	0	17.6471
+H	0.758602	0	18.1514
+H	0.758602	0	17.1429
+O	0	2.85714	11.9329
+H	0.758602	2.85714	12.4371
+H	0.758602	2.85714	11.4286
+O	0	2.85714	14.79
+H	0.758602	2.85714	15.2943
+H	0.758602	2.85714	14.2857
+O	0	2.85714	17.6471
+H	0.758602	2.85714	18.1514
+H	0.758602	2.85714	17.1429
+O	0	5.71429	11.9329
+H	0.758602	5.71429	12.4371
+H	0.758602	5.71429	11.4286
+O	0	5.71429	14.79
+H	0.758602	5.71429	15.2943
+H	0.758602	5.71429	14.2857
+O	0	5.71429	17.6471
+H	0.758602	5.71429	18.1514
+H	0.758602	5.71429	17.1429
+O	0	8.57143	11.9329
+H	0.758602	8.57143	12.4371
+H	0.758602	8.57143	11.4286
+O	0	8.57143	14.79
+H	0.758602	8.57143	15.2943
+H	0.758602	8.57143	14.2857
+O	0	8.57143	17.6471
+H	0.758602	8.57143	18.1514
+H	0.758602	8.57143	17.1429
+O	0	11.4286	0.504284
+H	0.758602	11.4286	1.00857
+H	0.758602	11.4286	0
+O	0	11.4286	3.36143
+H	0.758602	11.4286	3.86571
+H	0.758602	11.4286	2.85714
+O	0	11.4286	6.21857
+H	0.758602	11.4286	6.72285
+H	0.758602	11.4286	5.71429
+O	0	11.4286	9.07571
+H	0.758602	11.4286	9.58
+H	0.758602	11.4286	8.57143
+O	0	11.4286	11.9329
+H	0.758602	11.4286	12.4371
+H	0.758602	11.4286	11.4286
+O	0	11.4286	14.79
+H	0.758602	11.4286	15.2943
+H	0.758602	11.4286	14.2857
+O	0	11.4286	17.6471
+H	0.758602	11.4286	18.1514
+H	0.758602	11.4286	17.1429
+O	0	14.2857	0.504284
+H	0.758602	14.2857	1.00857
+H	0.758602	14.2857	0
+O	0	14.2857	3.36143
+H	0.758602	14.2857	3.86571
+H	0.758602	14.2857	2.85714
+O	0	14.2857	6.21857
+H	0.758602	14.2857	6.72285
+H	0.758602	14.2857	5.71429
+O	0	14.2857	9.07571
+H	0.758602	14.2857	9.58
+H	0.758602	14.2857	8.57143
+O	0	14.2857	11.9329
+H	0.758602	14.2857	12.4371
+H	0.758602	14.2857	11.4286
+O	0	14.2857	14.79
+H	0.758602	14.2857	15.2943
+H	0.758602	14.2857	14.2857
+O	0	14.2857	17.6471
+H	0.758602	14.2857	18.1514
+H	0.758602	14.2857	17.1429
+O	0	17.1429	0.504284
+H	0.758602	17.1429	1.00857
+H	0.758602	17.1429	0
+O	0	17.1429	3.36143
+H	0.758602	17.1429	3.86571
+H	0.758602	17.1429	2.85714
+O	0	17.1429	6.21857
+H	0.758602	17.1429	6.72285
+H	0.758602	17.1429	5.71429
+O	0	17.1429	9.07571
+H	0.758602	17.1429	9.58
+H	0.758602	17.1429	8.57143
+O	0	17.1429	11.9329
+H	0.758602	17.1429	12.4371
+H	0.758602	17.1429	11.4286
+O	0	17.1429	14.79
+H	0.758602	17.1429	15.2943
+H	0.758602	17.1429	14.2857
+O	0	17.1429	17.6471
+H	0.758602	17.1429	18.1514
+H	0.758602	17.1429	17.1429
+O	2.85714	0	11.9329
+H	3.61574	0	12.4371
+H	3.61574	0	11.4286
+O	2.85714	0	14.79
+H	3.61574	0	15.2943
+H	3.61574	0	14.2857
+O	2.85714	0	17.6471
+H	3.61574	0	18.1514
+H	3.61574	0	17.1429
+O	2.85714	2.85714	11.9329
+H	3.61574	2.85714	12.4371
+H	3.61574	2.85714	11.4286
+O	2.85714	2.85714	14.79
+H	3.61574	2.85714	15.2943
+H	3.61574	2.85714	14.2857
+O	2.85714	2.85714	17.6471
+H	3.61574	2.85714	18.1514
+H	3.61574	2.85714	17.1429
+O	2.85714	5.71429	11.9329
+H	3.61574	5.71429	12.4371
+H	3.61574	5.71429	11.4286
+O	2.85714	5.71429	14.79
+H	3.61574	5.71429	15.2943
+H	3.61574	5.71429	14.2857
+O	2.85714	5.71429	17.6471
+H	3.61574	5.71429	18.1514
+H	3.61574	5.71429	17.1429
+O	2.85714	8.57143	11.9329
+H	3.61574	8.57143	12.4371
+H	3.61574	8.57143	11.4286
+O	2.85714	8.57143	14.79
+H	3.61574	8.57143	15.2943
+H	3.61574	8.57143	14.2857
+O	2.85714	8.57143	17.6471
+H	3.61574	8.57143	18.1514
+H	3.61574	8.57143	17.1429
+O	2.85714	11.4286	0.504284
+H	3.61574	11.4286	1.00857
+H	3.61574	11.4286	0
+O	2.85714	11.4286	3.36143
+H	3.61574	11.4286	3.86571
+H	3.61574	11.4286	2.85714
+O	2.85714	11.4286	6.21857
+H	3.61574	11.4286	6.72285
+H	3.61574	11.4286	5.71429
+O	2.85714	11.4286	9.07571
+H	3.61574	11.4286	9.58
+H	3.61574	11.4286	8.57143
+O	2.85714	11.4286	11.9329
+H	3.61574	11.4286	12.4371
+H	3.61574	11.4286	11.4286
+O	2.85714	11.4286	14.79
+H	3.61574	11.4286	15.2943
+H	3.61574	11.4286	14.2857
+O	2.85714	11.4286	17.6471
+H	3.61574	11.4286	18.1514
+H	3.61574	11.4286	17.1429
+O	2.85714	14.2857	0.504284
+H	3.61574	14.2857	1.00857
+H	3.61574	14.2857	0
+O	2.85714	14.2857	3.36143
+H	3.61574	14.2857	3.86571
+H	3.61574	14.2857	2.85714
+O	2.85714	14.2857	6.21857
+H	3.61574	14.2857	6.72285
+H	3.61574	14.2857	5.71429
+O	2.85714	14.2857	9.07571
+H	3.61574	14.2857	9.58
+H	3.61574	14.2857	8.57143
+O	2.85714	14.2857	11.9329
+H	3.61574	14.2857	12.4371
+H	3.61574	14.2857	11.4286
+O	2.85714	14.2857	14.79
+H	3.61574	14.2857	15.2943
+H	3.61574	14.2857	14.2857
+O	2.85714	14.2857	17.6471
+H	3.61574	14.2857	18.1514
+H	3.61574	14.2857	17.1429
+O	2.85714	17.1429	0.504284
+H	3.61574	17.1429	1.00857
+H	3.61574	17.1429	0
+O	2.85714	17.1429	3.36143
+H	3.61574	17.1429	3.86571
+H	3.61574	17.1429	2.85714
+O	2.85714	17.1429	6.21857
+H	3.61574	17.1429	6.72285
+H	3.61574	17.1429	5.71429
+O	2.85714	17.1429	9.07571
+H	3.61574	17.1429	9.58
+H	3.61574	17.1429	8.57143
+O	2.85714	17.1429	11.9329
+H	3.61574	17.1429	12.4371
+H	3.61574	17.1429	11.4286
+O	2.85714	17.1429	14.79
+H	3.61574	17.1429	15.2943
+H	3.61574	17.1429	14.2857
+O	2.85714	17.1429	17.6471
+H	3.61574	17.1429	18.1514
+H	3.61574	17.1429	17.1429
+O	5.71429	0	11.9329
+H	6.47289	0	12.4371
+H	6.47289	0	11.4286
+O	5.71429	0	14.79
+H	6.47289	0	15.2943
+H	6.47289	0	14.2857
+O	5.71429	0	17.6471
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+O	17.1429	17.1429	17.6471
+H	17.9015	17.1429	18.1514
+H	17.9015	17.1429	17.1429
Index: tests/regression/Selection/Atoms/2/post/box.xyz
===================================================================
--- tests/regression/Selection/Atoms/2/post/box.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/2/post/box.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,1031 @@
+1029
+	Created by molecuilder on Wed Dec  8 00:25:14 2010
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+H	12.1872	14.2857	2.85714
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+H	12.1872	17.1429	8.57143
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+O	11.4286	17.1429	17.6471
+H	12.1872	17.1429	18.1514
+H	12.1872	17.1429	17.1429
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+H	15.0443	2.85714	11.4286
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+H	15.0443	2.85714	18.1514
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+H	15.0443	5.71429	18.1514
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+H	15.0443	8.57143	5.71429
+O	14.2857	8.57143	9.07571
+H	15.0443	8.57143	9.58
+H	15.0443	8.57143	8.57143
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+H	15.0443	8.57143	12.4371
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+O	14.2857	8.57143	14.79
+H	15.0443	8.57143	15.2943
+H	15.0443	8.57143	14.2857
+O	14.2857	8.57143	17.6471
+H	15.0443	8.57143	18.1514
+H	15.0443	8.57143	17.1429
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+O	14.2857	11.4286	3.36143
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+H	15.0443	11.4286	2.85714
+O	14.2857	11.4286	6.21857
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+O	14.2857	11.4286	9.07571
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+H	15.0443	11.4286	8.57143
+O	14.2857	11.4286	11.9329
+H	15.0443	11.4286	12.4371
+H	15.0443	11.4286	11.4286
+O	14.2857	11.4286	14.79
+H	15.0443	11.4286	15.2943
+H	15.0443	11.4286	14.2857
+O	14.2857	11.4286	17.6471
+H	15.0443	11.4286	18.1514
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+O	14.2857	14.2857	14.79
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+O	14.2857	17.1429	0.504284
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+O	14.2857	17.1429	14.79
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+H	17.9015	0	5.71429
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+O	17.1429	0	11.9329
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+H	17.9015	0	11.4286
+O	17.1429	0	14.79
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+O	17.1429	2.85714	14.79
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+H	17.9015	2.85714	17.1429
+O	17.1429	5.71429	0.504284
+H	17.9015	5.71429	1.00857
+H	17.9015	5.71429	0
+O	17.1429	5.71429	3.36143
+H	17.9015	5.71429	3.86571
+H	17.9015	5.71429	2.85714
+O	17.1429	5.71429	6.21857
+H	17.9015	5.71429	6.72285
+H	17.9015	5.71429	5.71429
+O	17.1429	5.71429	9.07571
+H	17.9015	5.71429	9.58
+H	17.9015	5.71429	8.57143
+O	17.1429	5.71429	11.9329
+H	17.9015	5.71429	12.4371
+H	17.9015	5.71429	11.4286
+O	17.1429	5.71429	14.79
+H	17.9015	5.71429	15.2943
+H	17.9015	5.71429	14.2857
+O	17.1429	5.71429	17.6471
+H	17.9015	5.71429	18.1514
+H	17.9015	5.71429	17.1429
+O	17.1429	8.57143	0.504284
+H	17.9015	8.57143	1.00857
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+O	17.1429	8.57143	3.36143
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+O	17.1429	8.57143	6.21857
+H	17.9015	8.57143	6.72285
+H	17.9015	8.57143	5.71429
+O	17.1429	8.57143	9.07571
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+H	17.9015	8.57143	8.57143
+O	17.1429	8.57143	11.9329
+H	17.9015	8.57143	12.4371
+H	17.9015	8.57143	11.4286
+O	17.1429	8.57143	14.79
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+O	17.1429	8.57143	17.6471
+H	17.9015	8.57143	18.1514
+H	17.9015	8.57143	17.1429
+O	17.1429	11.4286	0.504284
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+H	17.9015	11.4286	8.57143
+O	17.1429	11.4286	11.9329
+H	17.9015	11.4286	12.4371
+H	17.9015	11.4286	11.4286
+O	17.1429	11.4286	14.79
+H	17.9015	11.4286	15.2943
+H	17.9015	11.4286	14.2857
+O	17.1429	11.4286	17.6471
+H	17.9015	11.4286	18.1514
+H	17.9015	11.4286	17.1429
+O	17.1429	14.2857	0.504284
+H	17.9015	14.2857	1.00857
+H	17.9015	14.2857	0
+O	17.1429	14.2857	3.36143
+H	17.9015	14.2857	3.86571
+H	17.9015	14.2857	2.85714
+O	17.1429	14.2857	6.21857
+H	17.9015	14.2857	6.72285
+H	17.9015	14.2857	5.71429
+O	17.1429	14.2857	9.07571
+H	17.9015	14.2857	9.58
+H	17.9015	14.2857	8.57143
+O	17.1429	14.2857	11.9329
+H	17.9015	14.2857	12.4371
+H	17.9015	14.2857	11.4286
+O	17.1429	14.2857	14.79
+H	17.9015	14.2857	15.2943
+H	17.9015	14.2857	14.2857
+O	17.1429	14.2857	17.6471
+H	17.9015	14.2857	18.1514
+H	17.9015	14.2857	17.1429
+O	17.1429	17.1429	0.504284
+H	17.9015	17.1429	1.00857
+H	17.9015	17.1429	0
+O	17.1429	17.1429	3.36143
+H	17.9015	17.1429	3.86571
+H	17.9015	17.1429	2.85714
+O	17.1429	17.1429	6.21857
+H	17.9015	17.1429	6.72285
+H	17.9015	17.1429	5.71429
+O	17.1429	17.1429	9.07571
+H	17.9015	17.1429	9.58
+H	17.9015	17.1429	8.57143
+O	17.1429	17.1429	11.9329
+H	17.9015	17.1429	12.4371
+H	17.9015	17.1429	11.4286
+O	17.1429	17.1429	14.79
+H	17.9015	17.1429	15.2943
+H	17.9015	17.1429	14.2857
+O	17.1429	17.1429	17.6471
+H	17.9015	17.1429	18.1514
+H	17.9015	17.1429	17.1429
Index: tests/regression/Selection/Atoms/2/post/empty.xyz
===================================================================
--- tests/regression/Selection/Atoms/2/post/empty.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/2/post/empty.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,2 @@
+0
+	Created by molecuilder for unselect-atoms-inside-cuboid test
Index: tests/regression/Selection/Atoms/2/pre/box.xyz
===================================================================
--- tests/regression/Selection/Atoms/2/pre/box.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/2/pre/box.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,1031 @@
+1029
+	Created by molecuilder on Wed Dec  8 00:25:14 2010
+O	0	0	0.504284
+H	0.758602	0	1.00857
+H	0.758602	0	0
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+H	0.758602	0	2.85714
+O	0	0	6.21857
+H	0.758602	0	6.72285
+H	0.758602	0	5.71429
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+H	0.758602	0	11.4286
+O	0	0	14.79
+H	0.758602	0	15.2943
+H	0.758602	0	14.2857
+O	0	0	17.6471
+H	0.758602	0	18.1514
+H	0.758602	0	17.1429
+O	0	2.85714	0.504284
+H	0.758602	2.85714	1.00857
+H	0.758602	2.85714	0
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+H	0.758602	2.85714	2.85714
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+H	0.758602	2.85714	5.71429
+O	0	2.85714	9.07571
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+O	0	2.85714	14.79
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+O	0	2.85714	17.6471
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+O	17.1429	14.2857	0.504284
+H	17.9015	14.2857	1.00857
+H	17.9015	14.2857	0
+O	17.1429	14.2857	3.36143
+H	17.9015	14.2857	3.86571
+H	17.9015	14.2857	2.85714
+O	17.1429	14.2857	6.21857
+H	17.9015	14.2857	6.72285
+H	17.9015	14.2857	5.71429
+O	17.1429	14.2857	9.07571
+H	17.9015	14.2857	9.58
+H	17.9015	14.2857	8.57143
+O	17.1429	14.2857	11.9329
+H	17.9015	14.2857	12.4371
+H	17.9015	14.2857	11.4286
+O	17.1429	14.2857	14.79
+H	17.9015	14.2857	15.2943
+H	17.9015	14.2857	14.2857
+O	17.1429	14.2857	17.6471
+H	17.9015	14.2857	18.1514
+H	17.9015	14.2857	17.1429
+O	17.1429	17.1429	0.504284
+H	17.9015	17.1429	1.00857
+H	17.9015	17.1429	0
+O	17.1429	17.1429	3.36143
+H	17.9015	17.1429	3.86571
+H	17.9015	17.1429	2.85714
+O	17.1429	17.1429	6.21857
+H	17.9015	17.1429	6.72285
+H	17.9015	17.1429	5.71429
+O	17.1429	17.1429	9.07571
+H	17.9015	17.1429	9.58
+H	17.9015	17.1429	8.57143
+O	17.1429	17.1429	11.9329
+H	17.9015	17.1429	12.4371
+H	17.9015	17.1429	11.4286
+O	17.1429	17.1429	14.79
+H	17.9015	17.1429	15.2943
+H	17.9015	17.1429	14.2857
+O	17.1429	17.1429	17.6471
+H	17.9015	17.1429	18.1514
+H	17.9015	17.1429	17.1429
Index: tests/regression/Selection/Atoms/3/post/allatomsinsidesphere.xyz
===================================================================
--- tests/regression/Selection/Atoms/3/post/allatomsinsidesphere.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/3/post/allatomsinsidesphere.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,526 @@
+524
+	Created by molecuilder for select-atoms-inside-sphere test
+H	0.758602	8.57143	6.72285
+H	0.758602	8.57143	9.58
+H	0.758602	8.57143	8.57143
+H	0.758602	8.57143	12.4371
+H	0.758602	8.57143	11.4286
+H	0.758602	11.4286	6.72285
+H	0.758602	11.4286	9.58
+H	0.758602	11.4286	8.57143
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+O	17.1429	11.4286	3.36143
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+H	17.9015	11.4286	11.4286
+O	17.1429	11.4286	14.79
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+O	17.1429	14.2857	6.21857
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+H	17.9015	14.2857	12.4371
+H	17.9015	14.2857	11.4286
+O	17.1429	14.2857	14.79
+H	17.9015	14.2857	14.2857
Index: tests/regression/Selection/Atoms/3/post/allatomsoutsidesphere.xyz
===================================================================
--- tests/regression/Selection/Atoms/3/post/allatomsoutsidesphere.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/3/post/allatomsoutsidesphere.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,507 @@
+505
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+O	17.1429	17.1429	9.07571
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+O	17.1429	17.1429	14.79
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+H	17.9015	17.1429	14.2857
+O	17.1429	17.1429	17.6471
+H	17.9015	17.1429	18.1514
+H	17.9015	17.1429	17.1429
Index: tests/regression/Selection/Atoms/3/post/empty.xyz
===================================================================
--- tests/regression/Selection/Atoms/3/post/empty.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/3/post/empty.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,2 @@
+0
+	Created by molecuilder for unselect-atoms-inside-cuboid test
Index: tests/regression/Selection/Atoms/3/post/inversesphere.xyz
===================================================================
--- tests/regression/Selection/Atoms/3/post/inversesphere.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/3/post/inversesphere.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,507 @@
+505	
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Index: tests/regression/Selection/Atoms/3/post/sphere.xyz
===================================================================
--- tests/regression/Selection/Atoms/3/post/sphere.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/3/post/sphere.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,526 @@
+524
+	Created by Molecuilder for select-atoms-inside-sphere test
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Index: tests/regression/Selection/Atoms/3/post/test.xyz
===================================================================
--- tests/regression/Selection/Atoms/3/post/test.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/3/post/test.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
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+O	17.1429	17.1429	17.6471
+H	17.9015	17.1429	18.1514
+H	17.9015	17.1429	17.1429
Index: tests/regression/Selection/Atoms/3/pre/box.xyz
===================================================================
--- tests/regression/Selection/Atoms/3/pre/box.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/3/pre/box.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,1031 @@
+1029
+	Created by molecuilder on Wed Dec  8 00:25:14 2010
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+O	11.4286	8.57143	0.504284
+H	12.1872	8.57143	1.00857
+H	12.1872	8.57143	0
+O	11.4286	8.57143	3.36143
+H	12.1872	8.57143	3.86571
+H	12.1872	8.57143	2.85714
+O	11.4286	8.57143	6.21857
+H	12.1872	8.57143	6.72285
+H	12.1872	8.57143	5.71429
+O	11.4286	8.57143	9.07571
+H	12.1872	8.57143	9.58
+H	12.1872	8.57143	8.57143
+O	11.4286	8.57143	11.9329
+H	12.1872	8.57143	12.4371
+H	12.1872	8.57143	11.4286
+O	11.4286	8.57143	14.79
+H	12.1872	8.57143	15.2943
+H	12.1872	8.57143	14.2857
+O	11.4286	8.57143	17.6471
+H	12.1872	8.57143	18.1514
+H	12.1872	8.57143	17.1429
+O	11.4286	11.4286	0.504284
+H	12.1872	11.4286	1.00857
+H	12.1872	11.4286	0
+O	11.4286	11.4286	3.36143
+H	12.1872	11.4286	3.86571
+H	12.1872	11.4286	2.85714
+O	11.4286	11.4286	6.21857
+H	12.1872	11.4286	6.72285
+H	12.1872	11.4286	5.71429
+O	11.4286	11.4286	9.07571
+H	12.1872	11.4286	9.58
+H	12.1872	11.4286	8.57143
+O	11.4286	11.4286	11.9329
+H	12.1872	11.4286	12.4371
+H	12.1872	11.4286	11.4286
+O	11.4286	11.4286	14.79
+H	12.1872	11.4286	15.2943
+H	12.1872	11.4286	14.2857
+O	11.4286	11.4286	17.6471
+H	12.1872	11.4286	18.1514
+H	12.1872	11.4286	17.1429
+O	11.4286	14.2857	0.504284
+H	12.1872	14.2857	1.00857
+H	12.1872	14.2857	0
+O	11.4286	14.2857	3.36143
+H	12.1872	14.2857	3.86571
+H	12.1872	14.2857	2.85714
+O	11.4286	14.2857	6.21857
+H	12.1872	14.2857	6.72285
+H	12.1872	14.2857	5.71429
+O	11.4286	14.2857	9.07571
+H	12.1872	14.2857	9.58
+H	12.1872	14.2857	8.57143
+O	11.4286	14.2857	11.9329
+H	12.1872	14.2857	12.4371
+H	12.1872	14.2857	11.4286
+O	11.4286	14.2857	14.79
+H	12.1872	14.2857	15.2943
+H	12.1872	14.2857	14.2857
+O	11.4286	14.2857	17.6471
+H	12.1872	14.2857	18.1514
+H	12.1872	14.2857	17.1429
+O	11.4286	17.1429	0.504284
+H	12.1872	17.1429	1.00857
+H	12.1872	17.1429	0
+O	11.4286	17.1429	3.36143
+H	12.1872	17.1429	3.86571
+H	12.1872	17.1429	2.85714
+O	11.4286	17.1429	6.21857
+H	12.1872	17.1429	6.72285
+H	12.1872	17.1429	5.71429
+O	11.4286	17.1429	9.07571
+H	12.1872	17.1429	9.58
+H	12.1872	17.1429	8.57143
+O	11.4286	17.1429	11.9329
+H	12.1872	17.1429	12.4371
+H	12.1872	17.1429	11.4286
+O	11.4286	17.1429	14.79
+H	12.1872	17.1429	15.2943
+H	12.1872	17.1429	14.2857
+O	11.4286	17.1429	17.6471
+H	12.1872	17.1429	18.1514
+H	12.1872	17.1429	17.1429
+O	14.2857	0	0.504284
+H	15.0443	0	1.00857
+H	15.0443	0	0
+O	14.2857	0	3.36143
+H	15.0443	0	3.86571
+H	15.0443	0	2.85714
+O	14.2857	0	6.21857
+H	15.0443	0	6.72285
+H	15.0443	0	5.71429
+O	14.2857	0	9.07571
+H	15.0443	0	9.58
+H	15.0443	0	8.57143
+O	14.2857	0	11.9329
+H	15.0443	0	12.4371
+H	15.0443	0	11.4286
+O	14.2857	0	14.79
+H	15.0443	0	15.2943
+H	15.0443	0	14.2857
+O	14.2857	0	17.6471
+H	15.0443	0	18.1514
+H	15.0443	0	17.1429
+O	14.2857	2.85714	0.504284
+H	15.0443	2.85714	1.00857
+H	15.0443	2.85714	0
+O	14.2857	2.85714	3.36143
+H	15.0443	2.85714	3.86571
+H	15.0443	2.85714	2.85714
+O	14.2857	2.85714	6.21857
+H	15.0443	2.85714	6.72285
+H	15.0443	2.85714	5.71429
+O	14.2857	2.85714	9.07571
+H	15.0443	2.85714	9.58
+H	15.0443	2.85714	8.57143
+O	14.2857	2.85714	11.9329
+H	15.0443	2.85714	12.4371
+H	15.0443	2.85714	11.4286
+O	14.2857	2.85714	14.79
+H	15.0443	2.85714	15.2943
+H	15.0443	2.85714	14.2857
+O	14.2857	2.85714	17.6471
+H	15.0443	2.85714	18.1514
+H	15.0443	2.85714	17.1429
+O	14.2857	5.71429	0.504284
+H	15.0443	5.71429	1.00857
+H	15.0443	5.71429	0
+O	14.2857	5.71429	3.36143
+H	15.0443	5.71429	3.86571
+H	15.0443	5.71429	2.85714
+O	14.2857	5.71429	6.21857
+H	15.0443	5.71429	6.72285
+H	15.0443	5.71429	5.71429
+O	14.2857	5.71429	9.07571
+H	15.0443	5.71429	9.58
+H	15.0443	5.71429	8.57143
+O	14.2857	5.71429	11.9329
+H	15.0443	5.71429	12.4371
+H	15.0443	5.71429	11.4286
+O	14.2857	5.71429	14.79
+H	15.0443	5.71429	15.2943
+H	15.0443	5.71429	14.2857
+O	14.2857	5.71429	17.6471
+H	15.0443	5.71429	18.1514
+H	15.0443	5.71429	17.1429
+O	14.2857	8.57143	0.504284
+H	15.0443	8.57143	1.00857
+H	15.0443	8.57143	0
+O	14.2857	8.57143	3.36143
+H	15.0443	8.57143	3.86571
+H	15.0443	8.57143	2.85714
+O	14.2857	8.57143	6.21857
+H	15.0443	8.57143	6.72285
+H	15.0443	8.57143	5.71429
+O	14.2857	8.57143	9.07571
+H	15.0443	8.57143	9.58
+H	15.0443	8.57143	8.57143
+O	14.2857	8.57143	11.9329
+H	15.0443	8.57143	12.4371
+H	15.0443	8.57143	11.4286
+O	14.2857	8.57143	14.79
+H	15.0443	8.57143	15.2943
+H	15.0443	8.57143	14.2857
+O	14.2857	8.57143	17.6471
+H	15.0443	8.57143	18.1514
+H	15.0443	8.57143	17.1429
+O	14.2857	11.4286	0.504284
+H	15.0443	11.4286	1.00857
+H	15.0443	11.4286	0
+O	14.2857	11.4286	3.36143
+H	15.0443	11.4286	3.86571
+H	15.0443	11.4286	2.85714
+O	14.2857	11.4286	6.21857
+H	15.0443	11.4286	6.72285
+H	15.0443	11.4286	5.71429
+O	14.2857	11.4286	9.07571
+H	15.0443	11.4286	9.58
+H	15.0443	11.4286	8.57143
+O	14.2857	11.4286	11.9329
+H	15.0443	11.4286	12.4371
+H	15.0443	11.4286	11.4286
+O	14.2857	11.4286	14.79
+H	15.0443	11.4286	15.2943
+H	15.0443	11.4286	14.2857
+O	14.2857	11.4286	17.6471
+H	15.0443	11.4286	18.1514
+H	15.0443	11.4286	17.1429
+O	14.2857	14.2857	0.504284
+H	15.0443	14.2857	1.00857
+H	15.0443	14.2857	0
+O	14.2857	14.2857	3.36143
+H	15.0443	14.2857	3.86571
+H	15.0443	14.2857	2.85714
+O	14.2857	14.2857	6.21857
+H	15.0443	14.2857	6.72285
+H	15.0443	14.2857	5.71429
+O	14.2857	14.2857	9.07571
+H	15.0443	14.2857	9.58
+H	15.0443	14.2857	8.57143
+O	14.2857	14.2857	11.9329
+H	15.0443	14.2857	12.4371
+H	15.0443	14.2857	11.4286
+O	14.2857	14.2857	14.79
+H	15.0443	14.2857	15.2943
+H	15.0443	14.2857	14.2857
+O	14.2857	14.2857	17.6471
+H	15.0443	14.2857	18.1514
+H	15.0443	14.2857	17.1429
+O	14.2857	17.1429	0.504284
+H	15.0443	17.1429	1.00857
+H	15.0443	17.1429	0
+O	14.2857	17.1429	3.36143
+H	15.0443	17.1429	3.86571
+H	15.0443	17.1429	2.85714
+O	14.2857	17.1429	6.21857
+H	15.0443	17.1429	6.72285
+H	15.0443	17.1429	5.71429
+O	14.2857	17.1429	9.07571
+H	15.0443	17.1429	9.58
+H	15.0443	17.1429	8.57143
+O	14.2857	17.1429	11.9329
+H	15.0443	17.1429	12.4371
+H	15.0443	17.1429	11.4286
+O	14.2857	17.1429	14.79
+H	15.0443	17.1429	15.2943
+H	15.0443	17.1429	14.2857
+O	14.2857	17.1429	17.6471
+H	15.0443	17.1429	18.1514
+H	15.0443	17.1429	17.1429
+O	17.1429	0	0.504284
+H	17.9015	0	1.00857
+H	17.9015	0	0
+O	17.1429	0	3.36143
+H	17.9015	0	3.86571
+H	17.9015	0	2.85714
+O	17.1429	0	6.21857
+H	17.9015	0	6.72285
+H	17.9015	0	5.71429
+O	17.1429	0	9.07571
+H	17.9015	0	9.58
+H	17.9015	0	8.57143
+O	17.1429	0	11.9329
+H	17.9015	0	12.4371
+H	17.9015	0	11.4286
+O	17.1429	0	14.79
+H	17.9015	0	15.2943
+H	17.9015	0	14.2857
+O	17.1429	0	17.6471
+H	17.9015	0	18.1514
+H	17.9015	0	17.1429
+O	17.1429	2.85714	0.504284
+H	17.9015	2.85714	1.00857
+H	17.9015	2.85714	0
+O	17.1429	2.85714	3.36143
+H	17.9015	2.85714	3.86571
+H	17.9015	2.85714	2.85714
+O	17.1429	2.85714	6.21857
+H	17.9015	2.85714	6.72285
+H	17.9015	2.85714	5.71429
+O	17.1429	2.85714	9.07571
+H	17.9015	2.85714	9.58
+H	17.9015	2.85714	8.57143
+O	17.1429	2.85714	11.9329
+H	17.9015	2.85714	12.4371
+H	17.9015	2.85714	11.4286
+O	17.1429	2.85714	14.79
+H	17.9015	2.85714	15.2943
+H	17.9015	2.85714	14.2857
+O	17.1429	2.85714	17.6471
+H	17.9015	2.85714	18.1514
+H	17.9015	2.85714	17.1429
+O	17.1429	5.71429	0.504284
+H	17.9015	5.71429	1.00857
+H	17.9015	5.71429	0
+O	17.1429	5.71429	3.36143
+H	17.9015	5.71429	3.86571
+H	17.9015	5.71429	2.85714
+O	17.1429	5.71429	6.21857
+H	17.9015	5.71429	6.72285
+H	17.9015	5.71429	5.71429
+O	17.1429	5.71429	9.07571
+H	17.9015	5.71429	9.58
+H	17.9015	5.71429	8.57143
+O	17.1429	5.71429	11.9329
+H	17.9015	5.71429	12.4371
+H	17.9015	5.71429	11.4286
+O	17.1429	5.71429	14.79
+H	17.9015	5.71429	15.2943
+H	17.9015	5.71429	14.2857
+O	17.1429	5.71429	17.6471
+H	17.9015	5.71429	18.1514
+H	17.9015	5.71429	17.1429
+O	17.1429	8.57143	0.504284
+H	17.9015	8.57143	1.00857
+H	17.9015	8.57143	0
+O	17.1429	8.57143	3.36143
+H	17.9015	8.57143	3.86571
+H	17.9015	8.57143	2.85714
+O	17.1429	8.57143	6.21857
+H	17.9015	8.57143	6.72285
+H	17.9015	8.57143	5.71429
+O	17.1429	8.57143	9.07571
+H	17.9015	8.57143	9.58
+H	17.9015	8.57143	8.57143
+O	17.1429	8.57143	11.9329
+H	17.9015	8.57143	12.4371
+H	17.9015	8.57143	11.4286
+O	17.1429	8.57143	14.79
+H	17.9015	8.57143	15.2943
+H	17.9015	8.57143	14.2857
+O	17.1429	8.57143	17.6471
+H	17.9015	8.57143	18.1514
+H	17.9015	8.57143	17.1429
+O	17.1429	11.4286	0.504284
+H	17.9015	11.4286	1.00857
+H	17.9015	11.4286	0
+O	17.1429	11.4286	3.36143
+H	17.9015	11.4286	3.86571
+H	17.9015	11.4286	2.85714
+O	17.1429	11.4286	6.21857
+H	17.9015	11.4286	6.72285
+H	17.9015	11.4286	5.71429
+O	17.1429	11.4286	9.07571
+H	17.9015	11.4286	9.58
+H	17.9015	11.4286	8.57143
+O	17.1429	11.4286	11.9329
+H	17.9015	11.4286	12.4371
+H	17.9015	11.4286	11.4286
+O	17.1429	11.4286	14.79
+H	17.9015	11.4286	15.2943
+H	17.9015	11.4286	14.2857
+O	17.1429	11.4286	17.6471
+H	17.9015	11.4286	18.1514
+H	17.9015	11.4286	17.1429
+O	17.1429	14.2857	0.504284
+H	17.9015	14.2857	1.00857
+H	17.9015	14.2857	0
+O	17.1429	14.2857	3.36143
+H	17.9015	14.2857	3.86571
+H	17.9015	14.2857	2.85714
+O	17.1429	14.2857	6.21857
+H	17.9015	14.2857	6.72285
+H	17.9015	14.2857	5.71429
+O	17.1429	14.2857	9.07571
+H	17.9015	14.2857	9.58
+H	17.9015	14.2857	8.57143
+O	17.1429	14.2857	11.9329
+H	17.9015	14.2857	12.4371
+H	17.9015	14.2857	11.4286
+O	17.1429	14.2857	14.79
+H	17.9015	14.2857	15.2943
+H	17.9015	14.2857	14.2857
+O	17.1429	14.2857	17.6471
+H	17.9015	14.2857	18.1514
+H	17.9015	14.2857	17.1429
+O	17.1429	17.1429	0.504284
+H	17.9015	17.1429	1.00857
+H	17.9015	17.1429	0
+O	17.1429	17.1429	3.36143
+H	17.9015	17.1429	3.86571
+H	17.9015	17.1429	2.85714
+O	17.1429	17.1429	6.21857
+H	17.9015	17.1429	6.72285
+H	17.9015	17.1429	5.71429
+O	17.1429	17.1429	9.07571
+H	17.9015	17.1429	9.58
+H	17.9015	17.1429	8.57143
+O	17.1429	17.1429	11.9329
+H	17.9015	17.1429	12.4371
+H	17.9015	17.1429	11.4286
+O	17.1429	17.1429	14.79
+H	17.9015	17.1429	15.2943
+H	17.9015	17.1429	14.2857
+O	17.1429	17.1429	17.6471
+H	17.9015	17.1429	18.1514
+H	17.9015	17.1429	17.1429
Index: tests/regression/Selection/Atoms/4/post/empty.xyz
===================================================================
--- tests/regression/Selection/Atoms/4/post/empty.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/4/post/empty.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,2 @@
+0
+	Created by molecuilder for unselect-atoms-inside-cuboid test
Index: tests/regression/Selection/Atoms/4/post/molecule0.xyz
===================================================================
--- tests/regression/Selection/Atoms/4/post/molecule0.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/4/post/molecule0.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,5 @@
+3
+	Created by molecuilder for select-molecules-atoms test
+O	0	0	0.504284
+H	0.758602	0	1.00857
+H	0.758602	0	0
Index: tests/regression/Selection/Atoms/4/post/molecule1.xyz
===================================================================
--- tests/regression/Selection/Atoms/4/post/molecule1.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/4/post/molecule1.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,5 @@
+3
+	Created by molecuilder for select-molecules-atoms test
+O	0	0	3.36143
+H	0.758602	0	3.86571
+H	0.758602	0	2.85714
Index: tests/regression/Selection/Atoms/4/pre/test.xyz
===================================================================
--- tests/regression/Selection/Atoms/4/pre/test.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/4/pre/test.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,8 @@
+6
+	Created by molecuilder for select-molecules-atoms test
+O	0	0	0.504284
+H	0.758602	0	1.00857
+H	0.758602	0	0
+O	0	0	3.36143
+H	0.758602	0	3.86571
+H	0.758602	0	2.85714
Index: tests/regression/Selection/Atoms/5/post/test-Be_missing.xyz
===================================================================
--- tests/regression/Selection/Atoms/5/post/test-Be_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/5/post/test-Be_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,11 @@
+9
+	Created by molecuilder for select-by-element test
+H	0	0	0
+He	0	0	1
+Li	0	1	0
+B	0	1	2
+C	0	1	3
+N	0	1	4
+O	0	1	5
+F	0	1	6
+Ne	0	1	7
Index: tests/regression/Selection/Atoms/5/post/test-H_missing.xyz
===================================================================
--- tests/regression/Selection/Atoms/5/post/test-H_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/5/post/test-H_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,11 @@
+9
+	Created by molecuilder for select-by-element test
+He	0	0	1
+Li	0	1	0
+Be	0	1	1
+B	0	1	2
+C	0	1	3
+N	0	1	4
+O	0	1	5
+F	0	1	6
+Ne	0	1	7
Index: tests/regression/Selection/Atoms/5/post/test.xyz
===================================================================
--- tests/regression/Selection/Atoms/5/post/test.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/5/post/test.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,12 @@
+10
+	Created by molecuilder for select-by-element test
+H	0	0	0
+He	0	0	1
+Li	0	1	0
+Be	0	1	1
+B	0	1	2
+C	0	1	3
+N	0	1	4
+O	0	1	5
+F	0	1	6
+Ne	0	1	7
Index: tests/regression/Selection/Atoms/5/pre/test.xyz
===================================================================
--- tests/regression/Selection/Atoms/5/pre/test.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/5/pre/test.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,12 @@
+10
+	Created by molecuilder for select-by-element test
+H	0	0	0
+He	0	0	1
+Li	0	1	0
+Be	0	1	1
+B	0	1	2
+C	0	1	3
+N	0	1	4
+O	0	1	5
+F	0	1	6
+Ne	0	1	7
Index: tests/regression/Selection/Atoms/6/post/empty.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/empty.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/empty.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,2 @@
+0
+	Created by molecuilder for unselect-atom-by-id test
Index: tests/regression/Selection/Atoms/6/post/id0_missing.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id0_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id0_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,9 @@
+7
+	Created by molecuilder for select-atom-by-id
+H	0	0	1
+H	0	1	0
+H	0	1	1
+H	1	0	0
+H	1	0	1
+H	1	1	0
+H	1	1	1
Index: tests/regression/Selection/Atoms/6/post/id0_present.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id0_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id0_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,3 @@
+1
+	Created by molecuilder for unselect-atom-by-id
+H	0	0	0
Index: tests/regression/Selection/Atoms/6/post/id1_missing.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id1_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id1_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,9 @@
+7
+	Created by molecuilder for select-atom-by-id
+H	0	0	0
+H	0	1	0
+H	0	1	1
+H	1	0	0
+H	1	0	1
+H	1	1	0
+H	1	1	1
Index: tests/regression/Selection/Atoms/6/post/id1_present.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id1_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id1_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,3 @@
+1
+	Created by molecuilder for unselect-atom-by-id
+H	0	0	1
Index: tests/regression/Selection/Atoms/6/post/id2_missing.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id2_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id2_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,9 @@
+7
+	Created by molecuilder for select-atom-by-id
+H	0	0	0
+H	0	0	1
+H	0	1	1
+H	1	0	0
+H	1	0	1
+H	1	1	0
+H	1	1	1
Index: tests/regression/Selection/Atoms/6/post/id2_present.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id2_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id2_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,3 @@
+1
+	Created by molecuilder for unselect-atom-by-id
+H	0	1	0
Index: tests/regression/Selection/Atoms/6/post/id3_missing.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id3_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id3_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,9 @@
+7
+	Created by molecuilder for select-atom-by-id
+H	0	0	0
+H	0	0	1
+H	0	1	0
+H	1	0	0
+H	1	0	1
+H	1	1	0
+H	1	1	1
Index: tests/regression/Selection/Atoms/6/post/id3_present.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id3_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id3_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,3 @@
+1
+	Created by molecuilder for unselect-atom-by-id
+H	0	1	1
Index: tests/regression/Selection/Atoms/6/post/id4_missing.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id4_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id4_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,9 @@
+7
+	Created by molecuilder for select-atom-by-id
+H	0	0	0
+H	0	0	1
+H	0	1	0
+H	0	1	1
+H	1	0	1
+H	1	1	0
+H	1	1	1
Index: tests/regression/Selection/Atoms/6/post/id4_present.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id4_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id4_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,3 @@
+1
+	Created by molecuilder for unselect-atom-by-id
+H	1	0	0
Index: tests/regression/Selection/Atoms/6/post/id5_missing.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id5_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id5_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,9 @@
+7
+	Created by molecuilder for select-atom-by-id
+H	0	0	0
+H	0	0	1
+H	0	1	0
+H	0	1	1
+H	1	0	0
+H	1	1	0
+H	1	1	1
Index: tests/regression/Selection/Atoms/6/post/id5_present.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id5_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id5_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,3 @@
+1
+	Created by molecuilder for unselect-atom-by-id
+H	1	0	1
Index: tests/regression/Selection/Atoms/6/post/id6_missing.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id6_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id6_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,9 @@
+7
+	Created by molecuilder for select-atom-by-id
+H	0	0	0
+H	0	0	1
+H	0	1	0
+H	0	1	1
+H	1	0	0
+H	1	0	1
+H	1	1	1
Index: tests/regression/Selection/Atoms/6/post/id6_present.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id6_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id6_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,3 @@
+1
+	Created by molecuilder for unselect-atom-by-id
+H	1	1	0
Index: tests/regression/Selection/Atoms/6/post/id7_missing.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id7_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id7_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,9 @@
+7
+	Created by molecuilder for select-atom-by-id
+H	0	0	0
+H	0	0	1
+H	0	1	0
+H	0	1	1
+H	1	0	0
+H	1	0	1
+H	1	1	0
Index: tests/regression/Selection/Atoms/6/post/id7_present.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/post/id7_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/post/id7_present.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,3 @@
+1
+	Created by molecuilder for unselect-atom-by-id
+H	1	1	1
Index: tests/regression/Selection/Atoms/6/pre/test.xyz
===================================================================
--- tests/regression/Selection/Atoms/6/pre/test.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/6/pre/test.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,10 @@
+8
+	Created by molecuilder for select-atom-by-id
+H	0	0	0
+H	0	0	1
+H	0	1	0
+H	0	1	1
+H	1	0	0
+H	1	0	1
+H	1	1	0
+H	1	1	1
Index: tests/regression/Selection/Atoms/7/post/id0_missing.xyz
===================================================================
--- tests/regression/Selection/Atoms/7/post/id0_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/7/post/id0_missing.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,1030 @@
+1028
+	Created by molecuilder for unselect-all-atoms test
+H	0.758602	0	1.00857
+H	0.758602	0	0
+O	0	0	3.36143
+H	0.758602	0	3.86571
+H	0.758602	0	2.85714
+O	0	0	6.21857
+H	0.758602	0	6.72285
+H	0.758602	0	5.71429
+O	0	0	9.07571
+H	0.758602	0	9.58
+H	0.758602	0	8.57143
+O	0	0	11.9329
+H	0.758602	0	12.4371
+H	0.758602	0	11.4286
+O	0	0	14.79
+H	0.758602	0	15.2943
+H	0.758602	0	14.2857
+O	0	0	17.6471
+H	0.758602	0	18.1514
+H	0.758602	0	17.1429
+O	0	2.85714	0.504284
+H	0.758602	2.85714	1.00857
+H	0.758602	2.85714	0
+O	0	2.85714	3.36143
+H	0.758602	2.85714	3.86571
+H	0.758602	2.85714	2.85714
+O	0	2.85714	6.21857
+H	0.758602	2.85714	6.72285
+H	0.758602	2.85714	5.71429
+O	0	2.85714	9.07571
+H	0.758602	2.85714	9.58
+H	0.758602	2.85714	8.57143
+O	0	2.85714	11.9329
+H	0.758602	2.85714	12.4371
+H	0.758602	2.85714	11.4286
+O	0	2.85714	14.79
+H	0.758602	2.85714	15.2943
+H	0.758602	2.85714	14.2857
+O	0	2.85714	17.6471
+H	0.758602	2.85714	18.1514
+H	0.758602	2.85714	17.1429
+O	0	5.71429	0.504284
+H	0.758602	5.71429	1.00857
+H	0.758602	5.71429	0
+O	0	5.71429	3.36143
+H	0.758602	5.71429	3.86571
+H	0.758602	5.71429	2.85714
+O	0	5.71429	6.21857
+H	0.758602	5.71429	6.72285
+H	0.758602	5.71429	5.71429
+O	0	5.71429	9.07571
+H	0.758602	5.71429	9.58
+H	0.758602	5.71429	8.57143
+O	0	5.71429	11.9329
+H	0.758602	5.71429	12.4371
+H	0.758602	5.71429	11.4286
+O	0	5.71429	14.79
+H	0.758602	5.71429	15.2943
+H	0.758602	5.71429	14.2857
+O	0	5.71429	17.6471
+H	0.758602	5.71429	18.1514
+H	0.758602	5.71429	17.1429
+O	0	8.57143	0.504284
+H	0.758602	8.57143	1.00857
+H	0.758602	8.57143	0
+O	0	8.57143	3.36143
+H	0.758602	8.57143	3.86571
+H	0.758602	8.57143	2.85714
+O	0	8.57143	6.21857
+H	0.758602	8.57143	6.72285
+H	0.758602	8.57143	5.71429
+O	0	8.57143	9.07571
+H	0.758602	8.57143	9.58
+H	0.758602	8.57143	8.57143
+O	0	8.57143	11.9329
+H	0.758602	8.57143	12.4371
+H	0.758602	8.57143	11.4286
+O	0	8.57143	14.79
+H	0.758602	8.57143	15.2943
+H	0.758602	8.57143	14.2857
+O	0	8.57143	17.6471
+H	0.758602	8.57143	18.1514
+H	0.758602	8.57143	17.1429
+O	0	11.4286	0.504284
+H	0.758602	11.4286	1.00857
+H	0.758602	11.4286	0
+O	0	11.4286	3.36143
+H	0.758602	11.4286	3.86571
+H	0.758602	11.4286	2.85714
+O	0	11.4286	6.21857
+H	0.758602	11.4286	6.72285
+H	0.758602	11.4286	5.71429
+O	0	11.4286	9.07571
+H	0.758602	11.4286	9.58
+H	0.758602	11.4286	8.57143
+O	0	11.4286	11.9329
+H	0.758602	11.4286	12.4371
+H	0.758602	11.4286	11.4286
+O	0	11.4286	14.79
+H	0.758602	11.4286	15.2943
+H	0.758602	11.4286	14.2857
+O	0	11.4286	17.6471
+H	0.758602	11.4286	18.1514
+H	0.758602	11.4286	17.1429
+O	0	14.2857	0.504284
+H	0.758602	14.2857	1.00857
+H	0.758602	14.2857	0
+O	0	14.2857	3.36143
+H	0.758602	14.2857	3.86571
+H	0.758602	14.2857	2.85714
+O	0	14.2857	6.21857
+H	0.758602	14.2857	6.72285
+H	0.758602	14.2857	5.71429
+O	0	14.2857	9.07571
+H	0.758602	14.2857	9.58
+H	0.758602	14.2857	8.57143
+O	0	14.2857	11.9329
+H	0.758602	14.2857	12.4371
+H	0.758602	14.2857	11.4286
+O	0	14.2857	14.79
+H	0.758602	14.2857	15.2943
+H	0.758602	14.2857	14.2857
+O	0	14.2857	17.6471
+H	0.758602	14.2857	18.1514
+H	0.758602	14.2857	17.1429
+O	0	17.1429	0.504284
+H	0.758602	17.1429	1.00857
+H	0.758602	17.1429	0
+O	0	17.1429	3.36143
+H	0.758602	17.1429	3.86571
+H	0.758602	17.1429	2.85714
+O	0	17.1429	6.21857
+H	0.758602	17.1429	6.72285
+H	0.758602	17.1429	5.71429
+O	0	17.1429	9.07571
+H	0.758602	17.1429	9.58
+H	0.758602	17.1429	8.57143
+O	0	17.1429	11.9329
+H	0.758602	17.1429	12.4371
+H	0.758602	17.1429	11.4286
+O	0	17.1429	14.79
+H	0.758602	17.1429	15.2943
+H	0.758602	17.1429	14.2857
+O	0	17.1429	17.6471
+H	0.758602	17.1429	18.1514
+H	0.758602	17.1429	17.1429
+O	2.85714	0	0.504284
+H	3.61574	0	1.00857
+H	3.61574	0	0
+O	2.85714	0	3.36143
+H	3.61574	0	3.86571
+H	3.61574	0	2.85714
+O	2.85714	0	6.21857
+H	3.61574	0	6.72285
+H	3.61574	0	5.71429
+O	2.85714	0	9.07571
+H	3.61574	0	9.58
+H	3.61574	0	8.57143
+O	2.85714	0	11.9329
+H	3.61574	0	12.4371
+H	3.61574	0	11.4286
+O	2.85714	0	14.79
+H	3.61574	0	15.2943
+H	3.61574	0	14.2857
+O	2.85714	0	17.6471
+H	3.61574	0	18.1514
+H	3.61574	0	17.1429
+O	2.85714	2.85714	0.504284
+H	3.61574	2.85714	1.00857
+H	3.61574	2.85714	0
+O	2.85714	2.85714	3.36143
+H	3.61574	2.85714	3.86571
+H	3.61574	2.85714	2.85714
+O	2.85714	2.85714	6.21857
+H	3.61574	2.85714	6.72285
+H	3.61574	2.85714	5.71429
+O	2.85714	2.85714	9.07571
+H	3.61574	2.85714	9.58
+H	3.61574	2.85714	8.57143
+O	2.85714	2.85714	11.9329
+H	3.61574	2.85714	12.4371
+H	3.61574	2.85714	11.4286
+O	2.85714	2.85714	14.79
+H	3.61574	2.85714	15.2943
+H	3.61574	2.85714	14.2857
+O	2.85714	2.85714	17.6471
+H	3.61574	2.85714	18.1514
+H	3.61574	2.85714	17.1429
+O	2.85714	5.71429	0.504284
+H	3.61574	5.71429	1.00857
+H	3.61574	5.71429	0
+O	2.85714	5.71429	3.36143
+H	3.61574	5.71429	3.86571
+H	3.61574	5.71429	2.85714
+O	2.85714	5.71429	6.21857
+H	3.61574	5.71429	6.72285
+H	3.61574	5.71429	5.71429
+O	2.85714	5.71429	9.07571
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+O	17.1429	14.2857	17.6471
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+H	17.9015	17.1429	3.86571
+H	17.9015	17.1429	2.85714
+O	17.1429	17.1429	6.21857
+H	17.9015	17.1429	6.72285
+H	17.9015	17.1429	5.71429
+O	17.1429	17.1429	9.07571
+H	17.9015	17.1429	9.58
+H	17.9015	17.1429	8.57143
+O	17.1429	17.1429	11.9329
+H	17.9015	17.1429	12.4371
+H	17.9015	17.1429	11.4286
+O	17.1429	17.1429	14.79
+H	17.9015	17.1429	15.2943
+H	17.9015	17.1429	14.2857
+O	17.1429	17.1429	17.6471
+H	17.9015	17.1429	18.1514
+H	17.9015	17.1429	17.1429
Index: tests/regression/Selection/Atoms/7/pre/box.xyz
===================================================================
--- tests/regression/Selection/Atoms/7/pre/box.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/7/pre/box.xyz	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,1031 @@
+1029
+	Created by molecuilder on Wed Dec  8 00:25:14 2010
+O	0	0	0.504284
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+H	17.9015	5.71429	14.2857
+O	17.1429	5.71429	17.6471
+H	17.9015	5.71429	18.1514
+H	17.9015	5.71429	17.1429
+O	17.1429	8.57143	0.504284
+H	17.9015	8.57143	1.00857
+H	17.9015	8.57143	0
+O	17.1429	8.57143	3.36143
+H	17.9015	8.57143	3.86571
+H	17.9015	8.57143	2.85714
+O	17.1429	8.57143	6.21857
+H	17.9015	8.57143	6.72285
+H	17.9015	8.57143	5.71429
+O	17.1429	8.57143	9.07571
+H	17.9015	8.57143	9.58
+H	17.9015	8.57143	8.57143
+O	17.1429	8.57143	11.9329
+H	17.9015	8.57143	12.4371
+H	17.9015	8.57143	11.4286
+O	17.1429	8.57143	14.79
+H	17.9015	8.57143	15.2943
+H	17.9015	8.57143	14.2857
+O	17.1429	8.57143	17.6471
+H	17.9015	8.57143	18.1514
+H	17.9015	8.57143	17.1429
+O	17.1429	11.4286	0.504284
+H	17.9015	11.4286	1.00857
+H	17.9015	11.4286	0
+O	17.1429	11.4286	3.36143
+H	17.9015	11.4286	3.86571
+H	17.9015	11.4286	2.85714
+O	17.1429	11.4286	6.21857
+H	17.9015	11.4286	6.72285
+H	17.9015	11.4286	5.71429
+O	17.1429	11.4286	9.07571
+H	17.9015	11.4286	9.58
+H	17.9015	11.4286	8.57143
+O	17.1429	11.4286	11.9329
+H	17.9015	11.4286	12.4371
+H	17.9015	11.4286	11.4286
+O	17.1429	11.4286	14.79
+H	17.9015	11.4286	15.2943
+H	17.9015	11.4286	14.2857
+O	17.1429	11.4286	17.6471
+H	17.9015	11.4286	18.1514
+H	17.9015	11.4286	17.1429
+O	17.1429	14.2857	0.504284
+H	17.9015	14.2857	1.00857
+H	17.9015	14.2857	0
+O	17.1429	14.2857	3.36143
+H	17.9015	14.2857	3.86571
+H	17.9015	14.2857	2.85714
+O	17.1429	14.2857	6.21857
+H	17.9015	14.2857	6.72285
+H	17.9015	14.2857	5.71429
+O	17.1429	14.2857	9.07571
+H	17.9015	14.2857	9.58
+H	17.9015	14.2857	8.57143
+O	17.1429	14.2857	11.9329
+H	17.9015	14.2857	12.4371
+H	17.9015	14.2857	11.4286
+O	17.1429	14.2857	14.79
+H	17.9015	14.2857	15.2943
+H	17.9015	14.2857	14.2857
+O	17.1429	14.2857	17.6471
+H	17.9015	14.2857	18.1514
+H	17.9015	14.2857	17.1429
+O	17.1429	17.1429	0.504284
+H	17.9015	17.1429	1.00857
+H	17.9015	17.1429	0
+O	17.1429	17.1429	3.36143
+H	17.9015	17.1429	3.86571
+H	17.9015	17.1429	2.85714
+O	17.1429	17.1429	6.21857
+H	17.9015	17.1429	6.72285
+H	17.9015	17.1429	5.71429
+O	17.1429	17.1429	9.07571
+H	17.9015	17.1429	9.58
+H	17.9015	17.1429	8.57143
+O	17.1429	17.1429	11.9329
+H	17.9015	17.1429	12.4371
+H	17.9015	17.1429	11.4286
+O	17.1429	17.1429	14.79
+H	17.9015	17.1429	15.2943
+H	17.9015	17.1429	14.2857
+O	17.1429	17.1429	17.6471
+H	17.9015	17.1429	18.1514
+H	17.9015	17.1429	17.1429
Index: tests/regression/Selection/Atoms/testsuite-selection-all-atoms.at
===================================================================
--- tests/regression/Selection/Atoms/testsuite-selection-all-atoms.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/testsuite-selection-all-atoms.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,27 @@
+### 1. (un)select all atoms
+
+AT_SETUP([Selection - All Atoms])
+AT_KEYWORDS([selection])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/pre/box.xyz allatoms.xyz], 0)
+AT_CHECK([../../molecuilder -i allatoms.xyz -v 3 --select-all-atoms -r], 0, [stdout], [stderr])
+AT_CHECK([file=allatoms.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/pre/box.xyz allatoms.xyz], 0)
+AT_CHECK([../../molecuilder -i allatoms.xyz -v 3 --select-all-atoms --undo -r], 0, [stdout], [stderr])
+AT_CHECK([file=allatoms.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/pre/box.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/pre/box.xyz allatoms.xyz], 0)
+AT_CHECK([../../molecuilder -i allatoms.xyz -v 3 --select-all-atoms --undo --redo -r], 0, [stdout], [stderr])
+AT_CHECK([file=allatoms.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/post/$file], 0, [ignore], [ignore])
+AT_CLEANUP
+
+AT_SETUP([Unselection - All Atoms])
+AT_KEYWORDS([selection])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/pre/box.xyz .], 0)
+AT_CHECK([../../molecuilder -i box.xyz -v 3 --select-atom-by-id 0 --unselect-all-atoms -r], 0, [stdout], [stderr])
+AT_CHECK([file=box.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/pre/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/pre/box.xyz id0_missing.xyz], 0)
+AT_CHECK([../../molecuilder -i id0_missing.xyz -v 3 --select-atom-by-id 0 --unselect-all-atoms --undo -r], 0, [stdout], [stderr])
+AT_CHECK([file=id0_missing.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/pre/box.xyz .], 0)
+AT_CHECK([../../molecuilder -i box.xyz -v 3 --select-atom-by-id 0 --unselect-all-atoms --undo --redo -r], 0, [stdout], [stderr])
+AT_CHECK([file=box.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/pre/$file], 0, [ignore], [ignore])
+AT_CLEANUP
Index: tests/regression/Selection/Atoms/testsuite-selection-atom-by-id.at
===================================================================
--- tests/regression/Selection/Atoms/testsuite-selection-atom-by-id.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/testsuite-selection-atom-by-id.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,45 @@
+### 6. (un)select atom by id
+
+AT_SETUP([Selection - atom with specific id])
+AT_KEYWORDS([selection,id,atom])
+# go through all possible ids (0-7) and removed
+i=0
+while test $i -lt 8; do
+  file=id${i}_missing.xyz
+  # normal
+  AT_CHECK([cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/6/pre/test.xyz $file])
+  AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id ${i} -r], [], [ignore], [ignore])
+  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/6/post/$file])
+  # normal
+  AT_CHECK([cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/6/pre/test.xyz $file])
+  AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id ${i} --undo -r], [], [ignore], [ignore])
+  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/6/pre/test.xyz])
+  # redo
+  AT_CHECK([cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/6/pre/test.xyz $file])
+  AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id ${i} --undo --redo -r], [], [ignore], [ignore])
+  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/6/post/$file])
+  ((i+=1))
+done
+AT_CLEANUP
+
+AT_SETUP([Unselection - atom with specific id])
+AT_KEYWORDS([selection,id,atom])
+# go through all possible ids (0-7) and remove others
+i=0
+while test $i -lt 8; do
+  file=id${i}_present.xyz
+  # normal
+  AT_CHECK([cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/6/pre/test.xyz $file])
+  AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-id ${i} -r], [], [ignore], [ignore])
+  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/6/post/$file])
+  # normal
+  AT_CHECK([cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/6/pre/test.xyz $file])
+  AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-id ${i} --undo -r], [], [ignore], [ignore])
+  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/6/post/empty.xyz])
+  # redo
+  AT_CHECK([cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/6/pre/test.xyz $file])
+  AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-id ${i} --undo --redo -r], [], [ignore], [ignore])
+  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/6/post/$file])
+  ((i+=1))
+done
+AT_CLEANUP
Index: tests/regression/Selection/Atoms/testsuite-selection-atoms-by-element.at
===================================================================
--- tests/regression/Selection/Atoms/testsuite-selection-atoms-by-element.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/testsuite-selection-atoms-by-element.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,28 @@
+### 5. (un)select atoms by element
+
+# select element by atomic number: 1, 4
+AT_SETUP([Selection - All atoms with specific element by atomic number])
+AT_KEYWORDS([selection,atom,element,atomic number])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/pre/test.xyz test-H_missing.xyz], 0)
+AT_CHECK([../../molecuilder -i test-H_missing.xyz -v 3 --select-atom-by-element 1 -r], 0, [stdout], [stderr])
+AT_CHECK([file=test-H_missing.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/pre/test.xyz test-Be_missing.xyz], 0)
+AT_CHECK([../../molecuilder -i test-Be_missing.xyz -v 3 --select-atom-by-element 4 -r], 0, [stdout], [stderr])
+AT_CHECK([file=test-Be_missing.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/post/$file], 0, [ignore], [ignore])
+AT_CLEANUP
+
+AT_SETUP([Selection - All atoms with specific element by symbol with Undo/Redo])
+AT_KEYWORDS([element,symbol])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/pre/test.xyz test.xyz], 0)
+AT_CHECK([../../molecuilder -i test.xyz -v 3 --select-atom-by-element 1 --undo -r], 0, [stdout], [stderr])
+AT_CHECK([file=test.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/pre/test.xyz test.xyz], 0)
+AT_CHECK([../../molecuilder -i test.xyz -v 3 --select-atom-by-element 4 --undo -r], 0, [stdout], [stderr])
+AT_CHECK([file=test.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/pre/test.xyz test-H_missing.xyz], 0)
+AT_CHECK([../../molecuilder -i test-H_missing.xyz -v 3 --select-atom-by-element 1 --undo --redo -r], 0, [stdout], [stderr])
+AT_CHECK([file=test-H_missing.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/pre/test.xyz test-Be_missing.xyz], 0)
+AT_CHECK([../../molecuilder -i test-Be_missing.xyz -v 3 --select-atom-by-element 4 --undo --redo -r], 0, [stdout], [stderr])
+AT_CHECK([file=test-Be_missing.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/post/$file], 0, [ignore], [ignore])
+AT_CLEANUP
Index: tests/regression/Selection/Atoms/testsuite-selection-atoms-inside-cuboid.at
===================================================================
--- tests/regression/Selection/Atoms/testsuite-selection-atoms-inside-cuboid.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/testsuite-selection-atoms-inside-cuboid.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,45 @@
+### 2. (un)select all atoms inside cuboid
+
+AT_SETUP([Selection - All atoms inside cuboid])
+AT_KEYWORDS([selection,cuboid])
+file=allatomsoutsidecuboid.xyz
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/2/pre/box.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0 -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/2/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/2/pre/box.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0  --undo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/2/pre/box.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/2/pre/box.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0  --undo --redo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/2/post/$file], 0, [ignore], [ignore])
+# check size of cuboid
+AT_SKIP_IF([! awk '' < /dev/null])  # check whether awk is there
+AT_SKIP_IF([! cat >/dev/null < /dev/null])  # check whether cat is there
+AT_SKIP_IF([! wc -l /dev/null])  # check whether wc is there
+AT_CHECK([cat < $file | awk -F" " '{ if (($2 > 10) || ($3 > 10) || ($4 > 10)) print $1,$2,$3,$4;}' | wc -l], 0, [stdout], [ignore])
+AT_CHECK([fgrep "838" stdout], 0, [ignore], [ignore])
+AT_CHECK([cat < $file | awk -F" " '{ if (($2 < 10) && ($3 < 10) && ($4 < 10)) print $1,$2,$3,$4;}' | wc -l], 0, [stdout], [ignore])
+AT_CHECK([fgrep "1" stdout], 0, [ignore], [ignore])
+AT_CLEANUP
+
+AT_SETUP([Unselection - All atoms inside cuboid])
+AT_KEYWORDS([selection,cuboid])
+file=allatomsinsidecuboid.xyz
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/2/pre/box.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0 -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/2/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/2/pre/box.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0  --undo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/2/post/empty.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/2/pre/box.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0  --undo --redo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/2/post/$file], 0, [ignore], [ignore])
+# check size of cuboid
+AT_SKIP_IF([! awk '' < /dev/null])  # check whether awk is there
+AT_SKIP_IF([! cat >/dev/null < /dev/null])  # check whether cat is there
+AT_SKIP_IF([! wc -l /dev/null])  # check whether wc is there
+AT_CHECK([cat < $file | awk -F" " '{ if (($2 < 10) || ($3 < 10) || ($4 < 10)) print $1,$2,$3,$4;}' | wc -l], 0, [stdout], [ignore])
+AT_CHECK([fgrep "193" stdout], 0, [ignore], [ignore])
+AT_CHECK([cat < $file | awk -F" " '{ if (($2 > 10) && ($3 > 10) && ($4 > 10)) print $1,$2,$3,$4;}' | wc -l], 0, [stdout], [ignore])
+AT_CHECK([fgrep "1" stdout], 0, [ignore], [ignore])
+AT_CLEANUP
Index: tests/regression/Selection/Atoms/testsuite-selection-atoms-inside-sphere.at
===================================================================
--- tests/regression/Selection/Atoms/testsuite-selection-atoms-inside-sphere.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/testsuite-selection-atoms-inside-sphere.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,46 @@
+### 3. (un)select all atoms inside sphere
+
+AT_SETUP([Selection - All atoms inside sphere])
+AT_KEYWORDS([selection,sphere])
+file=allatomsoutsidesphere.xyz
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/3/pre/box.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-sphere 10 --position "10,10,10" -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/3/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/3/pre/box.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-sphere 10 --position "10,10,10" --undo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/3/pre/box.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/3/pre/box.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-sphere 10 --position "10,10,10" --undo --redo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/3/post/$file], 0, [ignore], [ignore])
+# check size of sphere
+AT_SKIP_IF([! awk '' < /dev/null])  # check whether awk is there
+AT_SKIP_IF([! cat >/dev/null < /dev/null])  # check whether cat is there
+AT_SKIP_IF([! wc -l /dev/null])  # check whether wc is there
+AT_CHECK([cat < $file | awk -F" " '{ if (($2-10)*($2-10)+($3-10)*($3-10)+($4-10)*($4-10) > 100) print $1,$2,$3,$4;}' | wc -l], 0, [stdout], [ignore])
+AT_CHECK([fgrep "507" stdout], 0, [ignore], [ignore])
+AT_CHECK([cat < $file | awk -F" " '{ if (($2-10)*($2-10)+($3-10)*($3-10)+($4-10)*($4-10) < 100) print $1,$2,$3,$4;}' | wc -l], 0, [stdout], [ignore])
+AT_CHECK([fgrep "0" stdout], 0, [ignore], [ignore])
+AT_CLEANUP
+
+AT_SETUP([Unselection - All atoms inside sphere])
+AT_KEYWORDS([selection,sphere])
+file=allatomsinsidesphere.xyz
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/3/pre/box.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-sphere 10 --position "10,10,10" -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/3/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/3/pre/box.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-sphere 10 --position "10,10,10" --undo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/3/post/empty.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/3/pre/box.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-sphere 10 --position "10,10,10" --undo --redo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/3/post/$file], 0, [ignore], [ignore])
+# check size of sphere
+AT_SKIP_IF([! awk '' < /dev/null])  # check whether cat is there
+AT_SKIP_IF([! cat >/dev/null < /dev/null])  # check whether awk is there
+AT_SKIP_IF([! wc -l /dev/null])  # check whether wc is there
+AT_CHECK([cat < $file | awk -F" " '{ if (($2-10)*($2-10)+($3-10)*($3-10)+($4-10)*($4-10) > 100) print $1,$2,$3,$4;}' | wc -l], 0, [stdout], [ignore])
+AT_CHECK([fgrep "2" stdout], 0, [ignore], [ignore])
+AT_CHECK([cat < $file | awk -F" " '{ if (($2-10)*($2-10)+($3-10)*($3-10)+($4-10)*($4-10) < 100) print $1,$2,$3,$4;}' | wc -l], 0, [stdout], [ignore])
+AT_CHECK([fgrep "524" stdout], 0, [ignore], [ignore])
+AT_CLEANUP
+
Index: tests/regression/Selection/Atoms/testsuite-selection-atoms-of-molecule.at
===================================================================
--- tests/regression/Selection/Atoms/testsuite-selection-atoms-of-molecule.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/testsuite-selection-atoms-of-molecule.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,49 @@
+### 4. (un)select all atoms of molecule
+
+AT_SETUP([Selection - All atoms of selected molecules])
+AT_KEYWORDS([selection])
+file=molecule1.xyz
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecules-atoms 1 -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecules-atoms 1 --undo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecules-atoms 1 --undo --redo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore])
+file=molecule0.xyz
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecules-atoms 2 -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecules-atoms 2 --undo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecules-atoms 2 --undo --redo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore])
+AT_CLEANUP
+
+AT_SETUP([Unselection - All atoms of selected molecules])
+AT_KEYWORDS([selection])
+file=molecule0.xyz
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --unselect-molecules-atoms 1 -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --unselect-molecules-atoms 1 --undo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/empty.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --unselect-molecules-atoms 1 --undo --redo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore])
+file=molecule1.xyz
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --unselect-molecules-atoms 2 -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --unselect-molecules-atoms 2 --undo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/empty.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0)
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --unselect-molecules-atoms 2 --undo --redo -r], 0, [stdout], [stderr])
+AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore])
+AT_CLEANUP
Index: tests/regression/Selection/Atoms/testsuite-selection-clear-atoms.at
===================================================================
--- tests/regression/Selection/Atoms/testsuite-selection-clear-atoms.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/Atoms/testsuite-selection-clear-atoms.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,14 @@
+### 7. clear atom selection
+
+AT_SETUP([Unselection - clear atom selection])
+AT_KEYWORDS([selection,clear])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/pre/box.xyz .], 0)
+AT_CHECK([../../molecuilder -i box.xyz -v 3 --select-atom-by-id 0 --unselect-all-atoms -r], 0, [stdout], [stderr])
+AT_CHECK([file=box.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/pre/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/pre/box.xyz id0_missing.xyz], 0)
+AT_CHECK([../../molecuilder -i id0_missing.xyz -v 3 --select-atom-by-id 0 --unselect-all-atoms --undo -r], 0, [stdout], [stderr])
+AT_CHECK([file=id0_missing.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/pre/box.xyz .], 0)
+AT_CHECK([../../molecuilder -i box.xyz -v 3 --select-atom-by-id 0 --unselect-all-atoms --undo --redo -r], 0, [stdout], [stderr])
+AT_CHECK([file=box.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/1/pre/$file], 0, [ignore], [ignore])
+AT_CLEANUP
Index: tests/regression/Selection/testsuite-selection.at
===================================================================
--- tests/regression/Selection/testsuite-selection.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
+++ tests/regression/Selection/testsuite-selection.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -0,0 +1,23 @@
+AT_BANNER([MoleCuilder - Selections])
+
+# 5. (un)select atoms by element
+m4_include(Selection/Atoms/testsuite-selection-atoms-by-element.at)
+
+# 6. (un)select atom by id
+m4_include(Selection/Atoms/testsuite-selection-atom-by-id.at)
+
+# 1. (un)select all atoms
+m4_include(Selection/Atoms/testsuite-selection-all-atoms.at)
+
+# 2. (un)select all atoms inside cuboid
+m4_include(Selection/Atoms/testsuite-selection-atoms-inside-cuboid.at)
+
+# 3. (un)select all atoms inside sphere
+m4_include(Selection/Atoms/testsuite-selection-atoms-inside-sphere.at)
+
+# 4. (un)select all atoms of molecule
+m4_include(Selection/Atoms/testsuite-selection-atoms-of-molecule.at)
+
+# 7. clear atom selection
+m4_include(Selection/Atoms/testsuite-selection-clear-atoms.at)
+
Index: tests/regression/testsuite-selection.at
===================================================================
--- tests/regression/testsuite-selection.at	(revision 17c1a8e8744f0689e0dfd763a4ba3027a68fe52a)
+++ 	(revision )
@@ -1,28 +1,0 @@
-AT_BANNER([MoleCuilder - Selections])
-# 1. select all atoms
-AT_SETUP([Selection - All Atoms])
-AT_KEYWORDS([selection])
-AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/1/pre/box.xyz allatoms.xyz], 0)
-AT_CHECK([../../molecuilder -i allatoms.xyz -v 3 --select-all-atoms -r], 0, [stdout], [stderr])
-AT_CHECK([file=allatoms.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/1/post/$file], 0, [ignore], [ignore])
-AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/1/pre/box.xyz allatoms.xyz], 0)
-AT_CHECK([../../molecuilder -i allatoms.xyz -v 3 --select-all-atoms --undo -r], 0, [stdout], [stderr])
-AT_CHECK([file=allatoms.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/1/pre/box.xyz], 0, [ignore], [ignore])
-AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/1/pre/box.xyz allatoms.xyz], 0)
-AT_CHECK([../../molecuilder -i allatoms.xyz -v 3 --select-all-atoms --undo --redo -r], 0, [stdout], [stderr])
-AT_CHECK([file=allatoms.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/1/post/$file], 0, [ignore], [ignore])
-AT_CLEANUP
-
-# 2. select all atoms inside cuboid
-AT_SETUP([Selection - BROKEN: All atoms inside cuboid])
-AT_KEYWORDS([selection])
-#AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/1/pre/box.xyz allatomsinsidecuboid.xyz], 0)
-#AT_CHECK([../../molecuilder -i allatoms.xyz -v 3 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0 -r], 0, [stdout], [stderr])
-#AT_CHECK([file=allatomsinsidecuboid.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/1/post/$file], 0, [ignore], [ignore])
-#AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/1/pre/box.xyz allatomsinsidecuboid.xyz], 0)
-#AT_CHECK([../../molecuilder -i allatoms.xyz -v 3 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0  --undo -r], 0, [stdout], [stderr])
-#AT_CHECK([file=allatomsinsidecuboid.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/1/pre/box.xyz], 0, [ignore], [ignore])
-#AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/1/pre/box.xyz allatomsinsidecuboid.xyz], 0)
-#AT_CHECK([../../molecuilder -i allatoms.xyz -v 3 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0  --undo --redo -r], 0, [stdout], [stderr])
-#AT_CHECK([file=allatomsinsidecuboid.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/1/post/$file], 0, [ignore], [ignore])
-AT_CLEANUP
Index: tests/regression/testsuite.at
===================================================================
--- tests/regression/testsuite.at	(revision 17c1a8e8744f0689e0dfd763a4ba3027a68fe52a)
+++ tests/regression/testsuite.at	(revision 512f85d322a6e9f33d30dd5c0407a7abb6513ce2)
@@ -16,5 +16,5 @@
 m4_include(testsuite-simple_configuration.at)
 
-m4_include(testsuite-selection.at)
+m4_include(Selection/testsuite-selection.at)
 
 m4_include(testsuite-domain.at)
