Changeset 5061d9 for src/Python/modules.hpp

Timestamp:

Apr 23, 2021, 9:01:20 PM (5 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

0ec9f5

Parents:

cd79d0

git-author:

Frederik Heber <frederik.heber@…> (04/02/21 09:09:37)

git-committer:

Frederik Heber <frederik.heber@…> (04/23/21 21:01:20)

Message:

Added action to print selected atoms as graph6 string.

• added Graph6Writer heavily inspired from ​https://github.com/adrianN/graph6/blob/master/graph6.hpp
• DOCU: Added to userguide.
• TEST: Added regression test case.
• TEST: Prefixed chemical space evaluator test with "graph-"

File:

• src/Python/modules.hpp (modified) (2 diffs)

src/Python/modules.hpp

@@ -14 +14 @@
 #endif
 
+#include <string>
 #include <vector>
 
@@ -38 +39 @@
 double module_getSelectedMolarMass();
 
+std::string module_getGraph6String();
+std::string module_getElementListAsString();
+
 } /* namespace detail */