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vtkProgrammableElectronicData.h
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1 /*=========================================================================
2 
3  Program: Visualization Toolkit
4  Module: vtkProgrammableElectronicData.h
5 
6  Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
7  All rights reserved.
8  See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
9 
10  This software is distributed WITHOUT ANY WARRANTY; without even
11  the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
12  PURPOSE. See the above copyright notice for more information.
13 
14 =========================================================================*/
23 #ifndef __vtkProgrammableElectronicData_h
24 #define __vtkProgrammableElectronicData_h
25 
26 #include "vtkDomainsChemistryModule.h" // For export macro
27 #include "vtkAbstractElectronicData.h"
28 
29 class vtkImageData;
30 
31 class StdVectorOfImageDataPointers;
32 
33 class VTKDOMAINSCHEMISTRY_EXPORT vtkProgrammableElectronicData
34  : public vtkAbstractElectronicData
35 {
36 public:
37  static vtkProgrammableElectronicData *New();
38  vtkTypeMacro(vtkProgrammableElectronicData,vtkAbstractElectronicData);
39  void PrintSelf(ostream& os, vtkIndent indent);
40 
42 
44  virtual vtkIdType GetNumberOfMOs();
45  virtual void SetNumberOfMOs(vtkIdType);
47 
49 
51  vtkGetMacro(NumberOfElectrons, vtkIdType);
52  vtkSetMacro(NumberOfElectrons, vtkIdType);
54 
56 
57  virtual vtkImageData * GetMO(vtkIdType orbitalNumber);
58  void SetMO(vtkIdType orbitalNumber, vtkImageData *data);
60 
62 
63  vtkGetObjectMacro(ElectronDensity, vtkImageData);
64  virtual void SetElectronDensity(vtkImageData *);
66 
68 
70  vtkSetMacro(Padding, double);
71  vtkGetMacro(Padding, double);
73 
75  virtual void DeepCopy(vtkDataObject *obj);
76 
77 protected:
80 
83 
85 
86  StdVectorOfImageDataPointers *MOs;
87  vtkImageData *ElectronDensity;
89 
90 private:
91  // Not implemented:
93  void operator=(const vtkProgrammableElectronicData&);
94 };
95 
96 #endif
void DeepCopy(vtkPistonReference *self, vtkPistonReference *other)
int vtkIdType
Definition: vtkType.h:268
a simple class to control print indentation
Definition: vtkIndent.h:38
StdVectorOfImageDataPointers * MOs
Provides access to and storage of user-generated vtkImageData that describes electrons.
general representation of visualization data
Definition: vtkDataObject.h:64