/usr/include/vtk-6.3/vtkProgrammableElectronicData.h is in libvtk6-dev 6.3.0+dfsg1-5.
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 | /*=========================================================================
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.
=========================================================================*/
// .NAME vtkProgrammableElectronicData - 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);
// Description:
// Get/Set the number of molecular orbitals. Setting this will resize this
// internal array of MOs.
virtual vtkIdType GetNumberOfMOs();
virtual void SetNumberOfMOs(vtkIdType);
// Description:
// Get/Set the number of electrons in the molecule. Needed for HOMO/LUMO
// convenience functions
vtkGetMacro(NumberOfElectrons, vtkIdType);
vtkSetMacro(NumberOfElectrons, vtkIdType);
// Description:
// Get/Set the vtkImageData for the requested molecular orbital.
virtual vtkImageData * GetMO(vtkIdType orbitalNumber);
void SetMO(vtkIdType orbitalNumber, vtkImageData *data);
// Description:
// Get/Set the vtkImageData for the molecule's electron density.
vtkGetObjectMacro(ElectronDensity, vtkImageData);
virtual void SetElectronDensity(vtkImageData *);
// Description:
// 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);
// Description:
// Deep copies the data object into this.
virtual void DeepCopy(vtkDataObject *obj);
protected:
vtkProgrammableElectronicData();
~vtkProgrammableElectronicData();
// Description:
// Electronic data set property
vtkIdType NumberOfElectrons;
// Description:
// Storage for the vtkImageData objects
StdVectorOfImageDataPointers *MOs;
vtkImageData *ElectronDensity;
private:
// Not implemented:
vtkProgrammableElectronicData(const vtkProgrammableElectronicData&);
void operator=(const vtkProgrammableElectronicData&);
};
#endif
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