Changeset 596aac for tests/regression/Bond

Timestamp:

Oct 8, 2016, 6:57:48 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Add_FitFragmentPartialChargesAction, Fix_ChargeSampling_PBC, Fix_FitPartialCharges

Children:

eca3b6

Parents:

2a28cd

git-author:

Frederik Heber <heber@…> (10/01/16 17:56:45)

git-committer:

Frederik Heber <heber@…> (10/08/16 18:57:48)

Message:

Added BondSetDegreeAction for manipulating bond degrees.

Location:

tests/regression/Bond

Files:

• SetDegree/post/test.pdb (added)
• SetDegree/post/test_degree1.pdb (added)
• SetDegree/post/test_degree2.pdb (added)
• SetDegree/post/test_multiple.pdb (added)
• SetDegree/post/test_multiple_degree1.pdb (added)
• SetDegree/post/test_multiple_degree2.pdb (added)
• SetDegree/pre/.pdb (added)
• SetDegree/pre/test.pdb (added)
• SetDegree/pre/test_multiple.pdb (added)
• SetDegree/pre/test_multiple_fail.pdb (added)
• SetDegree/testsuite-bond-set-degree.at (added)
• SetDegree/testsuite-bond-set-degree_multiple.at (added)
• testsuite-bond.at (modified) (1 diff)

tests/regression/Bond/testsuite-bond.at

@@ -28 +28 @@
 # adjacency matcher
 m4_include([Bond/AdjacencyMatcher/testsuite-bond-adjacencymatcher.at])
+
+# set degree
+m4_include([Bond/SetDegree/testsuite-bond-set-degree.at])
+m4_include([Bond/SetDegree/testsuite-bond-set-degree_multiple.at])
+