Action_Thermostats
        Add_AtomRandomPerturbation
        Add_SelectAtomByNameAction
        Adding_Graph_to_ChangeBondActions
        Adding_MD_integration_tests
        Adding_StructOpt_integration_tests
        AutomationFragmentation_failures
        Candidate_v1.6.1
        Candidate_v1.7.0
        ChangeBugEmailaddress
        ChemicalSpaceEvaluator
        EmpiricalPotential_contain_HomologyGraph_documentation
        Enhance_userguide
        Enhanced_StructuralOptimization
        Enhanced_StructuralOptimization_continued
        Example_ManyWaysToTranslateAtom
        Exclude_Hydrogens_annealWithBondGraph
        Fix_Verbose_Codepatterns
        ForceAnnealing_oldresults
        ForceAnnealing_with_BondGraph
        ForceAnnealing_with_BondGraph_continued
        ForceAnnealing_with_BondGraph_continued_betteresults
        ForceAnnealing_with_BondGraph_contraction-expansion
        GeometryObjects
        Gui_displays_atomic_force_velocity
        IndependentFragmentGrids_IntegrationTest
        JobMarket_RobustOnKillsSegFaults
        JobMarket_StableWorkerPool
        PythonUI_with_named_parameters
        QtGui_reactivate_TimeChanged_changes
        Recreated_GuiChecks
        StoppableMakroAction
        TremoloParser_IncreasedPrecision
        TremoloParser_MultipleTimesteps
        stable
      
      
        
          | 
            Last change
 on this file since 2eded3e was             33e801, checked in by Frederik Heber <heber@…>, 10 years ago           | 
        
        
          | 
             
Added ParameterPair (i.e. "key = value;") to allow other string output. 
 
- this will solve the problem of vectors of key-value-pairs not properly
converted into a single string because of missing semicolon.
 - FIX: toCLIString used functions toPythonString if possible.
  
           | 
        
        
          
            
              - 
Property                 mode
 set to                 
100644
               
             
           | 
        
        
          | 
            File size:
            1.1 KB
           | 
        
      
      
| Line |   | 
|---|
| 1 | /*
 | 
|---|
| 2 |  * Values.hpp
 | 
|---|
| 3 |  *
 | 
|---|
| 4 |  *  Created on: Jun 7, 2010
 | 
|---|
| 5 |  *      Author: heber
 | 
|---|
| 6 |  */
 | 
|---|
| 7 | 
 | 
|---|
| 8 | #ifndef VALUES_HPP_
 | 
|---|
| 9 | #define VALUES_HPP_
 | 
|---|
| 10 | 
 | 
|---|
| 11 | // include config.h
 | 
|---|
| 12 | #ifdef HAVE_CONFIG_H
 | 
|---|
| 13 | #include <config.h>
 | 
|---|
| 14 | #endif
 | 
|---|
| 15 | 
 | 
|---|
| 16 | #include "LinearAlgebra/defs.hpp"
 | 
|---|
| 17 | 
 | 
|---|
| 18 | #include <string>
 | 
|---|
| 19 | 
 | 
|---|
| 20 | class Box;
 | 
|---|
| 21 | class BoxVector;
 | 
|---|
| 22 | class RealSpaceMatrix;
 | 
|---|
| 23 | class Vector;
 | 
|---|
| 24 | 
 | 
|---|
| 25 | /** This is just a temporary container for values parsed from the command line.
 | 
|---|
| 26 |  * I.e. this is only used within CommandLineParser, where VectorType and alikes
 | 
|---|
| 27 |  * are registered as VectorValue and lateron inside the CommandLineQuery placed
 | 
|---|
| 28 |  * into the real vector.
 | 
|---|
| 29 |  */
 | 
|---|
| 30 | struct VectorValue
 | 
|---|
| 31 | {
 | 
|---|
| 32 |   double vector[NDIM];
 | 
|---|
| 33 | 
 | 
|---|
| 34 |   Vector toVector() const;
 | 
|---|
| 35 |   BoxVector toBoxVector(Box &_box) const;
 | 
|---|
| 36 | };
 | 
|---|
| 37 | 
 | 
|---|
| 38 | /** This is just a temporary container for values parsed from the command line.
 | 
|---|
| 39 |  * I.e. this is only used within CommandLineParser, where BoxType is registered
 | 
|---|
| 40 |  * as BoxValue and lateron inside the CommandLineQuery placed into the real Box.
 | 
|---|
| 41 |  */
 | 
|---|
| 42 | struct RealSpaceMatrixValue
 | 
|---|
| 43 | {
 | 
|---|
| 44 |   double matrix[(NDIM*(NDIM+1))/2];
 | 
|---|
| 45 | 
 | 
|---|
| 46 |   RealSpaceMatrix toRealSpaceMatrix() const;
 | 
|---|
| 47 | };
 | 
|---|
| 48 | 
 | 
|---|
| 49 | #endif /* VALUES_HPP_ */
 | 
|---|
| 50 | 
 | 
|---|
       
      
  Note:
 See   
TracBrowser
 for help on using the repository browser.