Changeset 5061d9 for src/Graph

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-"

Location:

src/Graph

Files:

• Graph6Writer.cpp (added)
• Graph6Writer.hpp (added)
• Makefile.am (modified) (2 diffs)

src/Graph/Makefile.am

@@ -11 +11 @@
         Graph/CyclicStructureAnalysis.cpp \
         Graph/DepthFirstSearchAnalysis.cpp \
-        Graph/Graph6Reader.cpp
+        Graph/Graph6Reader.cpp \
+        Graph/Graph6Writer.cpp
 
 GRAPHHEADER = \
@@ -25 +26 @@
         Graph/DepthFirstSearchAnalysis.hpp \
         Graph/Graph6Reader.hpp \
+        Graph/Graph6Writer.hpp \
         Graph/ListOfLocalAtoms.hpp