/usr/include/vtk-7.1/vtkProgrammableElectronicData.h is in libvtk7-dev 7.1.1+dfsg1-2.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 | /*=========================================================================
Program: Visualization Toolkit
Module: vtkProgrammableElectronicData.h
Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
All rights reserved.
See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
This software is distributed WITHOUT ANY WARRANTY; without even
the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
PURPOSE. See the above copyright notice for more information.
=========================================================================*/
/**
* @class vtkProgrammableElectronicData
* @brief Provides access to and storage of
* user-generated vtkImageData that describes electrons.
*/
#ifndef vtkProgrammableElectronicData_h
#define vtkProgrammableElectronicData_h
#include "vtkDomainsChemistryModule.h" // For export macro
#include "vtkAbstractElectronicData.h"
class vtkImageData;
class StdVectorOfImageDataPointers;
class VTKDOMAINSCHEMISTRY_EXPORT vtkProgrammableElectronicData
: public vtkAbstractElectronicData
{
public:
static vtkProgrammableElectronicData *New();
vtkTypeMacro(vtkProgrammableElectronicData,vtkAbstractElectronicData);
void PrintSelf(ostream& os, vtkIndent indent);
//@{
/**
* Get/Set the number of molecular orbitals. Setting this will resize this
* internal array of MOs.
*/
virtual vtkIdType GetNumberOfMOs();
virtual void SetNumberOfMOs(vtkIdType);
//@}
//@{
/**
* Get/Set the number of electrons in the molecule. Needed for HOMO/LUMO
* convenience functions
*/
vtkGetMacro(NumberOfElectrons, vtkIdType);
vtkSetMacro(NumberOfElectrons, vtkIdType);
//@}
//@{
/**
* Get/Set the vtkImageData for the requested molecular orbital.
*/
virtual vtkImageData * GetMO(vtkIdType orbitalNumber);
void SetMO(vtkIdType orbitalNumber, vtkImageData *data);
//@}
//@{
/**
* Get/Set the vtkImageData for the molecule's electron density.
*/
vtkGetObjectMacro(ElectronDensity, vtkImageData);
virtual void SetElectronDensity(vtkImageData *);
//@}
//@{
/**
* Set/Get the padding around the molecule to which the cube extends. This
* is used to determine the dataset bounds.
*/
vtkSetMacro(Padding, double);
vtkGetMacro(Padding, double);
//@}
/**
* Deep copies the data object into this.
*/
virtual void DeepCopy(vtkDataObject *obj);
protected:
vtkProgrammableElectronicData();
~vtkProgrammableElectronicData();
/**
* Electronic data set property
*/
vtkIdType NumberOfElectrons;
//@{
/**
* Storage for the vtkImageData objects
*/
StdVectorOfImageDataPointers *MOs;
vtkImageData *ElectronDensity;
//@}
private:
vtkProgrammableElectronicData(const vtkProgrammableElectronicData&) VTK_DELETE_FUNCTION;
void operator=(const vtkProgrammableElectronicData&) VTK_DELETE_FUNCTION;
};
#endif
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