VTK
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=========================================================================*/
24#ifndef vtkProgrammableElectronicData_h
25#define vtkProgrammableElectronicData_h
26
27#include "vtkDomainsChemistryModule.h" // For export macro
29
30class vtkImageData;
31
32class StdVectorOfImageDataPointers;
33
34class VTKDOMAINSCHEMISTRY_EXPORT vtkProgrammableElectronicData
36{
37public:
40 void PrintSelf(ostream& os, vtkIndent indent);
41
43
50
52
56 vtkGetMacro(NumberOfElectrons, vtkIdType);
57 vtkSetMacro(NumberOfElectrons, vtkIdType);
59
61
64 virtual vtkImageData * GetMO(vtkIdType orbitalNumber);
65 void SetMO(vtkIdType orbitalNumber, vtkImageData *data);
67
69
72 vtkGetObjectMacro(ElectronDensity, vtkImageData);
75
77
81 vtkSetMacro(Padding, double);
82 vtkGetMacro(Padding, double);
84
88 virtual void DeepCopy(vtkDataObject *obj);
89
90protected:
93
98
100
103 StdVectorOfImageDataPointers *MOs;
106
107private:
109 void operator=(const vtkProgrammableElectronicData&) VTK_DELETE_FUNCTION;
110};
111
112#endif
Provides access to and storage of chemical electronic data.
general representation of visualization data
Definition: vtkDataObject.h:65
topologically and geometrically regular array of data
Definition: vtkImageData.h:46
a simple class to control print indentation
Definition: vtkIndent.h:40
Provides access to and storage of user-generated vtkImageData that describes electrons.
virtual void SetElectronDensity(vtkImageData *)
virtual void DeepCopy(vtkDataObject *obj)
Deep copies the data object into this.
vtkIdType NumberOfElectrons
Electronic data set property.
StdVectorOfImageDataPointers * MOs
Storage for the vtkImageData objects.
void SetMO(vtkIdType orbitalNumber, vtkImageData *data)
static vtkProgrammableElectronicData * New()
void PrintSelf(ostream &os, vtkIndent indent)
Methods invoked by print to print information about the object including superclasses.
virtual void SetNumberOfMOs(vtkIdType)
virtual vtkIdType GetNumberOfMOs()
Get/Set the number of molecular orbitals.
virtual vtkImageData * GetMO(vtkIdType orbitalNumber)
Get/Set the vtkImageData for the requested molecular orbital.
@ data
Definition: vtkX3D.h:315
vtkSetMacro(IgnoreDriverBugs, bool)
Updates the extensions string.
int vtkIdType
Definition: vtkType.h:287