Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
|
Last change
on this file since aed262 was cc6e5c, checked in by Frederik Heber <heber@…>, 11 years ago |
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Replaced Reactions by simple function exported to pyMoleCuilder.
- Reactions are a bad idea from the start, calculations do not need to be
undone. Hence, why make them into an Action that is specifically undoable?
- removed all Reaction..-related files.
- removed ActinQueue::getLastAction().
- removed CalculateBoundingBoxAction, CalculateCellVolumeAction, and
CalculateMolarMassAction, replaced by small function in Python folder.
- TESTFIX: removed associated regression tests in Analysis.
- modified boxmaker.py.in as names of functions changed.
- removed Actions/pyMoleCuilder.cpp, is redunant with PythonScripting_impl.hpp.
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Property mode
set to
100644
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File size:
546 bytes
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| Rev | Line | |
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| [cc6e5c] | 1 | /*
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| 2 | * modules.hpp
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| 3 | *
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| 4 | * Created on: Sep 28, 2013
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef MODULES_HPP_
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| 9 | #define MODULES_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 | #include <vector>
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| 17 |
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| 18 | namespace MoleCuilder {
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| 19 |
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| 20 | namespace detail {
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| 21 |
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| 22 | void module_exit();
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| 23 | void module_reinit();
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| 24 | void module_wait();
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| 25 |
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| 26 | typedef std::vector<double> doubleVec;
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| 27 |
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| 28 | doubleVec module_getBoundingBox();
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| 29 | double module_getDomainVolume();
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| 30 | double module_getSelectedMolarMass();
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| 31 |
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| 32 | } /* namespace detail */
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| 33 |
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| 34 | } /* namespace MoleCuilder */
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| 35 |
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| 36 | #endif /* MODULES_HPP_ */
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