/usr/include/vtk-7.1/vtkPeriodicTable.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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 | /*=========================================================================
Program: Visualization Toolkit
Module: vtkPeriodicTable.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 vtkPeriodicTable
* @brief Access to information about the elements.
*
*
* Sourced from the Blue Obelisk Data Repository
*
* @sa
* vtkBlueObeliskData vtkBlueObeliskDataParser
*/
#ifndef vtkPeriodicTable_h
#define vtkPeriodicTable_h
#include "vtkDomainsChemistryModule.h" // For export macro
#include "vtkObject.h"
#include "vtkNew.h" // Needed for the static data member
class vtkBlueObeliskData;
class vtkColor3f;
class vtkLookupTable;
class vtkStdString;
class VTKDOMAINSCHEMISTRY_EXPORT vtkPeriodicTable : public vtkObject
{
public:
vtkTypeMacro(vtkPeriodicTable, vtkObject);
void PrintSelf(ostream& os, vtkIndent indent);
static vtkPeriodicTable * New();
//@{
/**
* Access the static vtkBlueObeliskData object for raw access to
* BODR data.
*/
vtkGetNewMacro(BlueObeliskData, vtkBlueObeliskData);
//@}
/**
* Returns the number of elements in the periodic table.
*/
unsigned short GetNumberOfElements();
/**
* Given an atomic number, returns the symbol associated with the
* element
*/
const char * GetSymbol(const unsigned short atomicNum);
/**
* Given an atomic number, returns the name of the element
*/
const char * GetElementName(const unsigned short atomicNum);
//@{
/**
* Given a case-insensitive string that contains the symbol or name
* of an element, return the corresponding atomic number.
*/
unsigned short GetAtomicNumber(const vtkStdString &str);
unsigned short GetAtomicNumber(const char *str);
//@}
/**
* Given an atomic number, return the covalent radius of the atom
*/
float GetCovalentRadius(const unsigned short atomicNum);
/**
* Given an atomic number, returns the van der Waals radius of the
* atom
*/
float GetVDWRadius(const unsigned short atomicNum);
/**
* Fill the given vtkLookupTable to map atomic numbers to the
* familiar RGB tuples provided by the Blue Obelisk Data Repository
*/
void GetDefaultLUT(vtkLookupTable *);
/**
* Given an atomic number, return the familiar RGB tuple provided by
* the Blue Obelisk Data Repository
*/
void GetDefaultRGBTuple(unsigned short atomicNum, float rgb[3]);
/**
* Given an atomic number, return the familiar RGB tuple provided by
* the Blue Obelisk Data Repository
*/
vtkColor3f GetDefaultRGBTuple(unsigned short atomicNum);
protected:
vtkPeriodicTable();
~vtkPeriodicTable();
static vtkNew<vtkBlueObeliskData> BlueObeliskData;
private:
vtkPeriodicTable(const vtkPeriodicTable&) VTK_DELETE_FUNCTION;
void operator=(const vtkPeriodicTable&) VTK_DELETE_FUNCTION;
};
#endif
|