Changeset 5a479d for src/Python/modules.hpp

Timestamp:

Jan 24, 2024, 4:53:03 PM (21 months ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

d203d1e

Parents:

d083cc

git-author:

Frederik Heber <frederik.heber@…> (01/22/24 22:21:29)

git-committer:

Frederik Heber <frederik.heber@…> (01/24/24 16:53:03)

Message:

Added python actions to generate all graph6 strings.

• graph6 strings don't take permutations in the adjacency matrix into account. Hence, we are going through every permutation of non-hydrogens and generate the respective graph6 string.

File:

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

src/Python/modules.hpp

@@ -31 +31 @@
 typedef std::vector<double> doubleVec;
 typedef std::vector< std::vector<double> > atomPositionsVec;
+typedef std::vector< std::string > stringVec;
 
 doubleVec module_getBoundingBox();
@@ -41 +42 @@
 std::string module_getGraph6String();
 std::string module_getElementListAsString();
+MoleCuilder::detail::stringVec module_getAllGraph6Strings();
+MoleCuilder::detail::stringVec module_getAllElementListAsStrings();
 
 } /* namespace detail */