stable
v1.7.0
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Last change
on this file was 463bfb, checked in by Frederik Heber <frederik.heber@…>, 2 months ago |
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FIX: SaturateAction had typo in default.
- this originated in 2390e63956.
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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 | * SaturateAction.def
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| 3 | *
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| 4 | * Created on: Jan 26, 2015
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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 |
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| 10 | #include "Parameters/Validators/DummyValidator.hpp"
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| 11 |
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| 12 | // i.e. there is an integer with variable name Z that can be found in
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| 13 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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| 14 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| 15 | #define paramtypes (bool)
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| 16 | #define paramtokens ("use-outer-shell")
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| 17 | #define paramdescriptions ("whether to just look at valencies (false) or take the occupancy of the outer shell into account (true) for the polyhedra")
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| 18 | #define paramreferences (useOuterShell)
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| 19 | #define paramdefaults (PARAM_DEFAULT(0))
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| 20 | #define paramvalids (DummyValidator<bool>())
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| 21 |
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| 22 | #define statetypes (std::vector<AtomicInfo>)
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| 23 | #define statereferences (addedHydrogens)
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| 24 |
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| 25 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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| 26 | #define CATEGORY Atom
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| 27 | #define MENUNAME "atom"
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| 28 | #define MENUPOSITION 4
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| 29 | #define ACTIONNAME Saturate
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| 30 | #define TOKEN "saturate-atoms"
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| 31 |
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| 32 |
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| 33 | // finally the information stored in the ActionTrait specialization
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| 34 | #define DESCRIPTION "saturate all selected atoms by adding hydrogens at the typical distance"
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| 35 | #undef SHORTFORM
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