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../
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unittests
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c52abd
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7 years
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frederik.heber |
Added unit test for Graph6Reader.
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AdjacencyList.cpp
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9.3 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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AdjacencyList.hpp
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2.5 KB
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3aa8a5
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13 years
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FrederikHeber |
REFACTOR: AdjacencyList now just contains a single internal map.
- …
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BondGraph.cpp
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18.2 KB
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5fea7d
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8 years
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frederik.heber |
FIX: boost::tuple prefix was needed for tie in boost::graph usage.
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BondGraph.hpp
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20.1 KB
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38bcbe
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5 years
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frederik.heber |
StretchBondAction will used tabled distances when given distance is …
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BoostGraphCreator.cpp
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6.3 KB
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99c705
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7 years
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frederik.heber |
ChemicalSpaceEvaluator working for graph with 2 nodes.
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BoostGraphCreator.hpp
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6.2 KB
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f5ea10
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7 years
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frederik.heber |
Added Graph6Reader, extended BoostGraphCreator, added …
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BoostGraphCreator_impl.hpp
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2.4 KB
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1356af
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8 years
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frederik.heber |
Moved BoostGraphCreator::createFromRange into extra impl module.
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BoostGraphHelpers.hpp
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1.2 KB
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9f55b9
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5 years
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frederik.heber |
Extracted functor StretchBondUtil from StretchBondAction.
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BreadthFirstSearchGatherer.cpp
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4.0 KB
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966ce7
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8 years
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frederik.heber |
BreadthFirstSearchGatherer::getDistances() added.
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BreadthFirstSearchGatherer.hpp
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1.8 KB
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4a6ef3
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8 years
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frederik.heber |
Moved AlwaysTruePredicate from BoostGraphCreatorUnitTest into …
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BuildInducedSubgraph.cpp
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3.2 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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BuildInducedSubgraph.hpp
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1.2 KB
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f01769
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10 years
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FrederikHeber |
Replaced World::getAtom() wherever possible by const version.
- some …
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ConnectedSubgraph.cpp
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2.2 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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ConnectedSubgraph.hpp
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714 bytes
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09ac12
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15 years
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FrederikHeber |
Added new class ConnectedSubgraph.
- inherits list<atom *>.
- will be …
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CyclicStructureAnalysis.cpp
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20.0 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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CyclicStructureAnalysis.hpp
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2.1 KB
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83cc3e
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11 years
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FrederikHeber |
FIX: CyclicStructureAnalysis did not robustly detect all cycles.
- it …
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DepthFirstSearchAnalysis.cpp
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17.5 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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DepthFirstSearchAnalysis.hpp
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5.0 KB
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88c8ec
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13 years
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FrederikHeber |
REFACTOR: Replaced all "bond *" appearances by bond::ptr.
- this is …
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Graph6Reader.cpp
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3.1 KB
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1be100
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5 years
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frederik.heber |
FIX: Several small errors in Graph6Reader.
- off-by-one error with …
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Graph6Reader.hpp
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1.6 KB
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1be100
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5 years
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frederik.heber |
FIX: Several small errors in Graph6Reader.
- off-by-one error with …
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Graph6Writer.cpp
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3.9 KB
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5061d9
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5 years
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frederik.heber |
Added action to print selected atoms as graph6 string.
- added …
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Graph6Writer.hpp
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1014 bytes
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5061d9
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5 years
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frederik.heber |
Added action to print selected atoms as graph6 string.
- added …
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ListOfLocalAtoms.hpp
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509 bytes
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6d551c
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13 years
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FrederikHeber |
ListOfLocalAtoms is now a map, inherited into a distinct class.
- …
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Makefile.am
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3.2 KB
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5061d9
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5 years
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frederik.heber |
Added action to print selected atoms as graph6 string.
- added …
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