source: src/Actions/MoleculeAction

Candidate_v1.6.1
Name Size Rev Age Author Last Change
../
BondFileAction.cpp 3.0 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
BondFileAction.def 1.4 KB 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
BondFileAction.hpp 334 bytes 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ChangeBondAngleAction.cpp 6.6 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
ChangeBondAngleAction.def 1.4 KB 8b886f   12 years FrederikHeber Added ChangeBondAngleAction that changes the bond angle while keeping …
ChangeBondAngleAction.hpp 369 bytes 8b886f   12 years FrederikHeber Added ChangeBondAngleAction that changes the bond angle while keeping …
ChangeNameAction.cpp 2.5 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
ChangeNameAction.def 1.1 KB 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
ChangeNameAction.hpp 346 bytes 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
CopyAction.cpp 2.6 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
CopyAction.def 1.1 KB 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
CopyAction.hpp 314 bytes 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ForceAnnealingAction.cpp 6.5 KB 4b2adf   7 years frederik.heber ForceAnnealiing now returns bool to indicate stop condition for …
ForceAnnealingAction.def 2.3 KB c87d6e   7 years frederik.heber ForceAnnealingAction's Undo removes trajectory item if it was added. …
ForceAnnealingAction.hpp 364 bytes 1a48d2   10 years FrederikHeber Added ForceAnnealingAction. - also added regression test. - performs …
LinearInterpolationofTrajectoriesAction.cpp 3.2 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
LinearInterpolationofTrajectoriesAction.def 1.6 KB 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
LinearInterpolationofTrajectoriesAction.hpp 444 bytes 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
LoadAction.cpp 5.8 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
LoadAction.def 1.4 KB 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
LoadAction.hpp 331 bytes 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
RemoveAction.cpp 3.6 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
RemoveAction.def 1.1 KB 867473   10 years FrederikHeber Added new RemoveAction for molecules. - also add regression test. - …
RemoveAction.hpp 356 bytes 867473   10 years FrederikHeber Added new RemoveAction for molecules. - also add regression test. - …
RotateAroundBondAction.cpp 7.5 KB d1134d   7 years frederik.heber FIX: rotate-around-bond now rotates only one side of mol's bond graph. …
RotateAroundBondAction.def 1.4 KB 788dce   8 years frederik.heber Added RotateAroundBondAction. - TESTS: added regression test. - DOCU: …
RotateAroundBondAction.hpp 374 bytes 788dce   8 years frederik.heber Added RotateAroundBondAction. - TESTS: added regression test. - DOCU: …
RotateAroundSelfByAngleAction.cpp 4.9 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
RotateAroundSelfByAngleAction.def 1.4 KB 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
RotateAroundSelfByAngleAction.hpp 409 bytes 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
RotateToPrincipalAxisSystemAction.cpp 3.9 KB 536b13   8 years frederik.heber RotateToPrincipalAxisSystemAction now has Undo/Redo working. - TESTS: …
RotateToPrincipalAxisSystemAction.def 1.4 KB 536b13   8 years frederik.heber RotateToPrincipalAxisSystemAction now has Undo/Redo working. - TESTS: …
RotateToPrincipalAxisSystemAction.hpp 429 bytes 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
SaveAdjacencyAction.cpp 3.0 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
SaveAdjacencyAction.def 1.2 KB 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
SaveAdjacencyAction.hpp 359 bytes 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
SaveBondsAction.cpp 2.7 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
SaveBondsAction.def 1.1 KB 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
SaveBondsAction.hpp 339 bytes 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
SaveSelectedMoleculesAction.cpp 3.2 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
SaveSelectedMoleculesAction.def 1.3 KB 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
SaveSelectedMoleculesAction.hpp 404 bytes fe6f20   14 years FrederikHeber New Action SaveSelectedAtoms and renamed SaveAction -> …
SaveTemperatureAction.cpp 2.9 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
SaveTemperatureAction.def 1.2 KB 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
SaveTemperatureAction.hpp 369 bytes 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
StretchBondAction.cpp 7.9 KB bccbe9   7 years frederik.heber Extracted extraction (subset of) nodes from BoostGraph into …
StretchBondAction.def 1.2 KB bccbe9   7 years frederik.heber Extracted extraction (subset of) nodes from BoostGraph into …
StretchBondAction.hpp 349 bytes 3a51bd   12 years FrederikHeber Added new StretchBondAction to stretch the bond within a molecule. - …
TranslateAction.cpp 3.1 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
TranslateAction.def 937 bytes 066442   10 years FrederikHeber Added TranslateMolecule action. - added translate-molecule to …
TranslateAction.hpp 382 bytes 066442   10 years FrederikHeber Added TranslateMolecule action. - added translate-molecule to …
VerletIntegrationAction.cpp 5.9 KB 8c6b68   7 years frederik.heber atom::removeStep() extended to removing interval of steps. - …
VerletIntegrationAction.def 1.7 KB 95cfac   10 years FrederikHeber Added FileSuffixValidator to all Actions where missing but …
VerletIntegrationAction.hpp 379 bytes 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
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