SegFault_gcc4.6
| Rev | Line | |
|---|
| [1fd675] | 1 | /*
|
|---|
| 2 | * RotateToPrincipalAxisSystemAction.def
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Aug 26, 2010
|
|---|
| 5 | * Author: heber
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 | // all includes and forward declarations necessary for non-integral types below
|
|---|
| [24fbf3] | 9 | #include "Actions/Values.hpp"
|
|---|
| [1fd675] | 10 | #include "LinearAlgebra/Vector.hpp"
|
|---|
| [24fbf3] | 11 |
|
|---|
| [1fd675] | 12 | class MoleculeListClass;
|
|---|
| 13 |
|
|---|
| [7a1e7d] | 14 | #include "Parameters/Validators/Specific/VectorNotZeroValidator.hpp"
|
|---|
| [649aaa] | 15 |
|
|---|
| [1fd675] | 16 | // i.e. there is an integer with variable name Z that can be found in
|
|---|
| 17 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
|
|---|
| [6ba9ba] | 18 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
|
|---|
| [1fd675] | 19 | #define paramtypes (Vector)
|
|---|
| [967b3c] | 20 | #define paramtokens ("rotate-to-principal-axis-system")
|
|---|
| [e4afb4] | 21 | #define paramdescriptions ("vector to which to align the biggest eigenvector with")
|
|---|
| 22 | #undef paramdefaults
|
|---|
| [1fd675] | 23 | #define paramreferences (Axis)
|
|---|
| [23958d] | 24 | #define paramvalids \
|
|---|
| [7a1e7d] | 25 | (VectorNotZeroValidator())
|
|---|
| [1fd675] | 26 |
|
|---|
| 27 | #undef statetypes
|
|---|
| 28 | #undef statereferences
|
|---|
| 29 |
|
|---|
| 30 | // some defines for all the names, you may use ACTION, STATE and PARAMS
|
|---|
| 31 | #define CATEGORY Molecule
|
|---|
| [052bfd8] | 32 | #define MENUNAME "molecule"
|
|---|
| 33 | #define MENUPOSITION 9
|
|---|
| [1fd675] | 34 | #define ACTIONNAME RotateToPrincipalAxisSystem
|
|---|
| [967b3c] | 35 | #define TOKEN "rotate-to-principal-axis-system"
|
|---|
| [1fd675] | 36 |
|
|---|
| [24fbf3] | 37 |
|
|---|
| 38 | // finally the information stored in the ActionTrait specialization
|
|---|
| 39 | #define DESCRIPTION "calculate the principal axis system of the specified molecule and rotate specified axis to align with main axis"
|
|---|
| 40 | #define SHORTFORM "m"
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.