Fix_FitPartialCharges
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Last change
on this file since eaf08f was a58c16, checked in by Frederik Heber <heber@…>, 10 years ago |
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Replaced World::getAllAtoms() by const version where possible.
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-
Property mode
set to
100644
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File size:
1.1 KB
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| [1fd675] | 1 | /*
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| 2 | * AtomByElementAction.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 element;
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| 10 |
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| [23958d] | 11 | #include "Parameters/Validators/Specific/ElementValidator.hpp"
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| [649aaa] | 12 |
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| [1fd675] | 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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| [6ba9ba] | 15 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| [1fd675] | 16 | #define paramtypes (const element*)
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| [d57341] | 17 | #define paramtokens ("select-atom-by-element")
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| [e4afb4] | 18 | #define paramdescriptions ("element")
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| 19 | #undef paramdefaults
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| [1fd675] | 20 | #define paramreferences (elemental)
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| [23958d] | 21 | #define paramvalids \
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| 22 | (ElementValidator())
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| [1fd675] | 23 |
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| [a58c16] | 24 | #define statetypes (std::vector<const atom*>)
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| [1fd675] | 25 | #define statereferences (selectedAtoms)
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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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| [052bfd8] | 29 | #define MENUNAME "selection"
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| 30 | #define MENUPOSITION 5
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| [1fd675] | 31 | #define ACTIONNAME AtomByElement
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| 32 | #define TOKEN "select-atom-by-element"
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| 33 |
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| [24fbf3] | 34 |
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| 35 | // finally the information stored in the ActionTrait specialization
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| 36 | #define DESCRIPTION "select an atom by element"
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| 37 | #undef SHORTFORM
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