Index: tests/regression/Potential/FitPotential/pre/angle_homology.dat
===================================================================
--- tests/regression/Potential/FitPotential/pre/angle_homology.dat	(revision 1155ba032fdb209f9d0641f2d81b1d0f593c0c05)
+++ tests/regression/Potential/FitPotential/pre/angle_homology.dat	(revision f45a91659d65eb30d63007fe770d703d82539bb1)
@@ -1,2 +1,2 @@
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Index: tests/regression/Potential/FitPotential/pre/improper_homology.dat
===================================================================
--- tests/regression/Potential/FitPotential/pre/improper_homology.dat	(revision 1155ba032fdb209f9d0641f2d81b1d0f593c0c05)
+++ tests/regression/Potential/FitPotential/pre/improper_homology.dat	(revision f45a91659d65eb30d63007fe770d703d82539bb1)
@@ -1,2 +1,2 @@
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Index: tests/regression/Potential/FitPotential/pre/length_homology.dat
===================================================================
--- tests/regression/Potential/FitPotential/pre/length_homology.dat	(revision 1155ba032fdb209f9d0641f2d81b1d0f593c0c05)
+++ tests/regression/Potential/FitPotential/pre/length_homology.dat	(revision f45a91659d65eb30d63007fe770d703d82539bb1)
@@ -1,2 +1,2 @@
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Index: tests/regression/Potential/FitPotential/pre/lj_homology.dat
===================================================================
--- tests/regression/Potential/FitPotential/pre/lj_homology.dat	(revision 1155ba032fdb209f9d0641f2d81b1d0f593c0c05)
+++ tests/regression/Potential/FitPotential/pre/lj_homology.dat	(revision f45a91659d65eb30d63007fe770d703d82539bb1)
@@ -1,2 +1,2 @@
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Index: tests/regression/Potential/FitPotential/pre/torsion_homology.dat
===================================================================
--- tests/regression/Potential/FitPotential/pre/torsion_homology.dat	(revision 1155ba032fdb209f9d0641f2d81b1d0f593c0c05)
+++ tests/regression/Potential/FitPotential/pre/torsion_homology.dat	(revision f45a91659d65eb30d63007fe770d703d82539bb1)
@@ -1,2 +1,2 @@
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11.827794962515481 11.130486072729857 1 1 13 0 0 12 0 2 0 3 0 1 1 4 1 5 1 10 6 11 7 11 8 10 9 10 10 11 11 13 0.00050576366461996258 0 2 0 1 1 10 6 4 4 2 0 1 6 10 6 6 3 14 0 3 0 11.130486072729857 12.307785363614528 11.130486072729857 6 6 3 0 13.490753832464934 10.637267589710758 11.130486072729857 6 6 3 0 11.130486072729857 13.496423010430671 9.4486299428946161 1 1 3 0 11.130486072729857 13.496423010430671 12.8123422025651 1 1 3 0 13.490753832464934 9.4486299428946161 9.4486299428946161 1 1 3 0 13.490753832464934 9.4486299428946161 12.8123422025651 1 1 3 0 18.213179077923662 9.4486299428946161 12.8123422025651 1 1 3 0 18.213179077923662 9.4486299428946161 9.4486299428946161 1 1 3 0 15.852911318188585 13.496423010430671 12.8123422025651 1 1 3 0 15.852911318188585 13.496423010430671 9.4486299428946161 1 1 3 0 15.852911318188585 12.307785363614528 11.130486072729857 6 6 3 0 18.213179077923662 10.637267589710758 11.130486072729857 6 6 3 0 9.4486299428946161 11.117257990809806 11.130486072729857 1 1 3 0 19.895035207758905 11.827794962515481 11.130486072729857 1 1 13 0 0 12 0 2 0 3 0 1 1 4 1 5 1 10 6 11 7 11 8 10 9 10 10 11 11 13 0.00050576366461996258 0 2 0 1 1 10 6 4 4 2 0 1 6 10 6 6 3 14 0 3 0 11.130486072729857 12.307785363614528 11.130486072729857 6 6 3 0 13.490753832464934 10.637267589710758 11.130486072729857 6 6 3 0 11.130486072729857 13.496423010430671 9.4486299428946161 1 1 3 0 11.130486072729857 13.496423010430671 12.8123422025651 1 1 3 0 13.490753832464934 9.4486299428946161 9.4486299428946161 1 1 3 0 13.490753832464934 9.4486299428946161 12.8123422025651 1 1 3 0 18.213179077923662 9.4486299428946161 12.8123422025651 1 1 3 0 18.213179077923662 9.4486299428946161 9.4486299428946161 1 1 3 0 15.852911318188585 13.496423010430671 12.8123422025651 1 1 3 0 15.852911318188585 13.496423010430671 9.4486299428946161 1 1 3 0 15.852911318188585 12.307785363614528 11.130486072729857 6 6 3 0 18.213179077923662 10.637267589710758 11.130486072729857 6 6 3 0 9.4486299428946161 11.117257990809806 11.130486072729857 1 1 3 0 19.895035207758905 11.827794962515481 11.130486072729857 1 1 13 0 0 12 0 2 0 3 0 1 1 4 1 5 1 10 6 11 7 11 8 10 9 10 10 11 11 13 0.00050576366461996258 0 2 0 1 1 10 6 4 4 2 0 1 6 10 6 6 3 14 0 3 0 11.130486072729857 12.307785363614528 11.130486072729857 6 6 3 0 13.490753832464934 10.637267589710758 11.130486072729857 6 6 3 0 11.130486072729857 13.496423010430671 9.4486299428946161 1 1 3 0 11.130486072729857 13.496423010430671 12.8123422025651 1 1 3 0 13.490753832464934 9.4486299428946161 9.4486299428946161 1 1 3 0 13.490753832464934 9.4486299428946161 12.8123422025651 1 1 3 0 18.213179077923662 9.4486299428946161 12.8123422025651 1 1 3 0 18.213179077923662 9.4486299428946161 9.4486299428946161 1 1 3 0 15.852911318188585 13.496423010430671 12.8123422025651 1 1 3 0 15.852911318188585 13.496423010430671 9.4486299428946161 1 1 3 0 15.852911318188585 12.307785363614528 11.130486072729857 6 6 3 0 18.213179077923662 10.637267589710758 11.130486072729857 6 6 3 0 9.4486299428946161 11.117257990809806 11.130486072729857 1 1 3 0 19.895035207758905 11.827794962515481 11.130486072729857 1 1 13 0 0 12 0 2 0 3 0 1 1 4 1 5 1 10 6 11 7 11 8 10 9 10 10 11 11 13 0.00050576366461996258 0
Index: tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at
===================================================================
--- tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at	(revision 1155ba032fdb209f9d0641f2d81b1d0f593c0c05)
+++ tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at	(revision f45a91659d65eb30d63007fe770d703d82539bb1)
@@ -78,5 +78,4 @@
 AT_KEYWORDS([potential parse-homologies fit-potential harmonic_angle])
 AT_SKIP_IF([../../molecuilder --help fit-potential; if test $? -eq 5; then /bin/true; else /bin/false; fi])
-AT_XFAIL_IF([/bin/true])
 # homology files probably originate from Labspace/PotentialFitting/WaterAngle
 # recreate homology file: PYTHONPATH=... /usr/bin/python .../tests/regression/Potential/FitPotential/pre/measurement_function.py angle_common.pdb 2 0 0 5 4 127.0.0.1 2050 6-311G* 1 2. 10 .../share/molecuilder/data/bondtables/bondtable.dat
@@ -107,5 +106,4 @@
 AT_KEYWORDS([potential parse-homologies fit-potential torsion])
 AT_SKIP_IF([../../molecuilder --help fit-potential; if test $? -eq 5; then /bin/true; else /bin/false; fi])
-AT_XFAIL_IF([/bin/true])
 # homology files probably originate from Labspace/PotentialFitting/Butane
 # recreate homology file: PYTHONPATH=... /usr/bin/python .../tests/regression/Potential/FitPotential/pre/measurement_function.py torsion_common.pdb 4 0 0 5 4 127.0.0.1 2050 6-311G* 1 2. 10 .../share/molecuilder/data/bondtables/bondtable.dat
@@ -136,5 +134,4 @@
 AT_KEYWORDS([potential parse-homologies fit-potential improper])
 AT_SKIP_IF([../../molecuilder --help fit-potential; if test $? -eq 5; then /bin/true; else /bin/false; fi])
-AT_XFAIL_IF([/bin/true])
 # homology files probably originate from Labspace/PotentialFitting/Ammonia
 # recreate homology file: PYTHONPATH=... /usr/bin/python .../tests/regression/Potential/FitPotential/pre/measurement_function.py improper_common.pdb 2 0 0 5 4 127.0.0.1 2050 6-311G* 1 2. 10 .../share/molecuilder/data/bondtables/bondtable.dat
@@ -151,5 +148,5 @@
 	--fit-potential \
 		--potential-type "improper" \
-		--potential-charges 1 7 1 1 \
+		--potential-charges 7 1 1 1 \
 		--fragment-charges 7 1 1 1 \
 		--set-threshold 3e-4 \
@@ -158,6 +155,6 @@
 AT_CHECK([grep "Best parameters with L2 error" stdout | awk '{if ($8 > 3e-4) exit 1}'], 0, [ignore], [ignore])
 # check parameters to printed precision
-AT_CHECK([grep "improper:.*particle_type1=1,.*particle_type2=7,.*particle_type3=1,.*particle_type4=1,.*spring_constant=.*,.*equilibrium_distance=.*;" improper.potentials], 0, [ignore], [ignore])
-#AT_CHECK([grep "improper:.*particle_type1=1,.*particle_type2=7,.*particle_type3=1,.*particle_type4=1,.*spring_constant=1.02.*,.*equilibrium_distance=0.85.*;" improper.potentials], 0, [ignore], [ignore])
+AT_CHECK([grep "improper:.*particle_type1=7,.*particle_type2=1,.*particle_type3=1,.*particle_type4=1,.*spring_constant=.*,.*equilibrium_distance=.*;" improper.potentials], 0, [ignore], [ignore])
+#AT_CHECK([grep "improper:.*particle_type1=7,.*particle_type2=1,.*particle_type3=1,.*particle_type4=1,.*spring_constant=1.02.*,.*equilibrium_distance=0.85.*;" improper.potentials], 0, [ignore], [ignore])
 
 AT_CLEANUP
