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src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def
r1fd675 re4afb4 7 7 8 8 // all includes and forward declarations necessary for non-integral types below 9 #include "Actions/Values.hpp" 9 10 #include "LinearAlgebra/Vector.hpp" 11 10 12 class MoleculeListClass; 11 13 12 14 // i.e. there is an integer with variable name Z that can be found in 13 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 // "undefine" if no parameters are required 16 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value 15 17 #define paramtypes (Vector) 16 #define paramtokens (MoleculeRotateToPrincipalAxisSystemAction::NAME) 18 #define paramtokens ("rotate-to-pas") 19 #define paramdescriptions ("vector to which to align the biggest eigenvector with") 20 #undef paramdefaults 17 21 #define paramreferences (Axis) 18 22 … … 22 26 // some defines for all the names, you may use ACTION, STATE and PARAMS 23 27 #define CATEGORY Molecule 28 #define MENUNAME "molecule" 29 #define MENUPOSITION 9 24 30 #define ACTIONNAME RotateToPrincipalAxisSystem 25 31 #define TOKEN "rotate-to-pas" 26 32 33 34 // finally the information stored in the ActionTrait specialization 35 #define DESCRIPTION "calculate the principal axis system of the specified molecule and rotate specified axis to align with main axis" 36 #define SHORTFORM "m"
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