source: src/Graph@ a8961d

IndependentFragmentGrids_Sole_NN_Calculation
Name Size Rev Age Author Last Change
../
unittests a7aebd   10 years FrederikHeber World removes empty molecules. - on destroyAtom() of molecule's last …
AdjacencyList.cpp 9.3 KB ​ f01769   10 years FrederikHeber Replaced World::getAtom() wherever possible by const version. - some …
AdjacencyList.hpp 2.5 KB ​ 3aa8a5   12 years FrederikHeber REFACTOR: AdjacencyList now just contains a single internal map. - …
BondGraph.cpp 18.1 KB ​ 0763ce   10 years FrederikHeber Added BondGraph::checkBondDegree, FragmentationAction only resets …
BondGraph.hpp 20.1 KB ​ e3e52a   9 years FrederikHeber FIX: BondGraph::Createdjacency compare atoms on position in memory. - …
BuildInducedSubgraph.cpp 3.2 KB ​ f01769   10 years FrederikHeber Replaced World::getAtom() wherever possible by const version. - some …
BuildInducedSubgraph.hpp 1.2 KB ​ f01769   10 years FrederikHeber Replaced World::getAtom() wherever possible by const version. - some …
ConnectedSubgraph.cpp 2.2 KB ​ 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
ConnectedSubgraph.hpp 714 bytes ​ 09ac12   14 years FrederikHeber Added new class ConnectedSubgraph. - inherits list<atom *>. - will be …
CyclicStructureAnalysis.cpp 20.0 KB ​ 83cc3e   11 years FrederikHeber FIX: CyclicStructureAnalysis did not robustly detect all cycles. - it …
CyclicStructureAnalysis.hpp 2.1 KB ​ 83cc3e   11 years FrederikHeber FIX: CyclicStructureAnalysis did not robustly detect all cycles. - it …
DepthFirstSearchAnalysis.cpp 17.5 KB ​ 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
DepthFirstSearchAnalysis.hpp 5.0 KB ​ 88c8ec   12 years FrederikHeber REFACTOR: Replaced all "bond *" appearances by bond::ptr. - this is …
ListOfLocalAtoms.hpp 509 bytes ​ 6d551c   12 years FrederikHeber ListOfLocalAtoms is now a map, inherited into a distinct class. - …
Makefile.am 2.9 KB ​ 06804b   11 years FrederikHeber Removed molecule::AddHydrogenReplacement() and BreadthFirstSearchAdd. …
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