Changeset b84ab4 for molecuilder/src/unittests

Timestamp:

Oct 30, 2009, 3:49:38 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

245826

Parents:

5f697c

git-author:

Frederik Heber <heber@…> (10/30/09 15:33:51)

git-committer:

Frederik Heber <heber@…> (10/30/09 15:49:38)

Message:

BondGraph is parsed if command line switch '-g' is given.

• builder.cpp: case 'g' which gives a bond length table file which is parsed after the configuration and before other command line options.
• BondGraph::BondLengthMatrixMinMaxDistance() falls back to CovalentMinMaxDistance() if no table parsed.
• Bond Length Table was changed to have first row _and_ column each enlist all the elements and does not have a "#" in front anymore.
• The unit test has been changed accordingly.

Signed-off-by: Frederik Heber <heber@…>

File:

• molecuilder/src/unittests/bondgraphunittest.cpp (modified) (1 diff)

molecuilder/src/unittests/bondgraphunittest.cpp

@@ -79 +79 @@
   filename = new string("test.dat");
   ofstream test(filename->c_str());
-  test << "# Hydrogen\tCarbon\n1.\t1.2\n1.2\t1.5" << endl;
+  test << ".\tH\tC\n";
+  test << "H\t1.\t1.2\n";
+  test << "C\t1.2\t1.5\n";
   BG = new BondGraph(true);
 };