Fix_FitPartialCharges
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Last change
on this file since eaf08f was 1259df, checked in by Frederik Heber <heber@…>, 10 years ago |
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Replaced World::getAllMolecules() wherever possible by const version.
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Property mode
set to
100644
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File size:
1.2 KB
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| 1 | /*
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| 2 | * NotMoleculeByFormulaAction.def
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| 3 | *
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| 4 | * Created on: Aug 26, 2010
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | // all includes and forward declarations necessary for non-integral types below
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| 9 | class molecule;
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| 10 |
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| 11 | #include "Parameters/Validators/Specific/FormulaValidator.hpp"
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| 12 |
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| 13 | // i.e. there is an integer with variable name Z that can be found in
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| 14 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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| 15 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| 16 | #define paramtypes (std::string)
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| 17 | #define paramtokens ("unselect-molecules-by-formula")
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| 18 | #define paramdescriptions ("chemical formula")
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| 19 | #undef paramdefaults
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| 20 | #define paramreferences (formula)
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| 21 | #define paramvalids \
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| 22 | (FormulaValidator())
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| 23 |
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| 24 | #define statetypes (std::vector<const molecule*>)
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| 25 | #define statereferences (unselectedMolecules)
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| 26 |
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| 27 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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| 28 | #define CATEGORY Selection
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| 29 | #define MENUNAME "selection"
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| 30 | #define MENUPOSITION 19
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| 31 | #define ACTIONNAME NotMoleculeByFormula
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| 32 | #define TOKEN "unselect-molecules-by-formula"
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| 33 |
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| 34 |
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| 35 | // finally the information stored in the ActionTrait specialization
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| 36 | #define DESCRIPTION "unselect a molecule by chemical formula"
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| 37 | #undef SHORTFORM
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