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../
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ChemicalSpaceEvaluatorAction.cpp
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23.3 KB
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564f17
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4 years
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frederik.heber |
Extended HomologyContainer::value_t by fragment energy.
- renamed …
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ChemicalSpaceEvaluatorAction.def
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1.5 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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ChemicalSpaceEvaluatorAction.hpp
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410 bytes
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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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CorrectBondDegreeAction.cpp
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5.3 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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CorrectBondDegreeAction.def
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1.0 KB
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343c5a
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11 years
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FrederikHeber |
Added CorrectBondDegreeAction and fixed Calculation tests.
- pdb …
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CorrectBondDegreeAction.hpp
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385 bytes
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343c5a
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11 years
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FrederikHeber |
Added CorrectBondDegreeAction and fixed Calculation tests.
- pdb …
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CreateAdjacencyAction.cpp
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5.7 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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CreateAdjacencyAction.def
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1.0 KB
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055ad7
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13 years
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FrederikHeber |
Added Undo/Redo functionality to CreateAdjacencyAction.
- also added …
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CreateAdjacencyAction.hpp
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374 bytes
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d09093
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15 years
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FrederikHeber |
Moved all graph-related Actions into own folder Actions/GraphAction/.
…
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DepthFirstSearchAction.cpp
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3.1 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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DepthFirstSearchAction.def
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1.1 KB
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9291d04
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13 years
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FrederikHeber |
Split saturation with hydrogen of treatment of hydrogen.
- now …
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DepthFirstSearchAction.hpp
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379 bytes
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d09093
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15 years
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FrederikHeber |
Moved all graph-related Actions into own folder Actions/GraphAction/.
…
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DestroyAdjacencyAction.cpp
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5.2 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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DestroyAdjacencyAction.def
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1.0 KB
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560cbf
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13 years
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FrederikHeber |
Added a DestroyAdjacencyAction with undo/redo.
- also added …
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DestroyAdjacencyAction.hpp
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379 bytes
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560cbf
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13 years
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FrederikHeber |
Added a DestroyAdjacencyAction with undo/redo.
- also added …
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PrintSelectedAtomsAsGraphStringAction.cpp
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2.6 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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PrintSelectedAtomsAsGraphStringAction.def
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1019 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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PrintSelectedAtomsAsGraphStringAction.hpp
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454 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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SubgraphDissectionAction.cpp
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3.4 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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SubgraphDissectionAction.def
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1.0 KB
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f47e00b
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11 years
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FrederikHeber |
FIX: SubgraphDissectionAction is now a MakroAction, fixed …
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SubgraphDissectionAction.hpp
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399 bytes
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f47e00b
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11 years
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FrederikHeber |
FIX: SubgraphDissectionAction is now a MakroAction, fixed …
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UpdateMoleculesAction.cpp
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4.9 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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UpdateMoleculesAction.def
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1.0 KB
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22b786
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13 years
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FrederikHeber |
Made SubgraphDissection a MakroAction and added UpdateMoleculesAction. …
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UpdateMoleculesAction.hpp
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374 bytes
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22b786
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13 years
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FrederikHeber |
Made SubgraphDissection a MakroAction and added UpdateMoleculesAction. …
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