SaturateAtoms_singleDegree
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Last change
on this file since cdac1d 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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| [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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