/usr/include/paraview/vtkPeriodicTable.h is in paraview-dev 5.0.1+dfsg1-4.
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 | /*=========================================================================
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.
=========================================================================*/
// .NAME vtkPeriodicTable - Access to information about the elements.
//
// .SECTION Description
// Sourced from the Blue Obelisk Data Repository
//
// .SECTION See Also
// 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();
// Description:
// Access the static vtkBlueObeliskData object for raw access to
// BODR data.
vtkGetNewMacro(BlueObeliskData, vtkBlueObeliskData);
// Description:
// Returns the number of elements in the periodic table.
unsigned short GetNumberOfElements();
// Description:
// Given an atomic number, returns the symbol associated with the
// element
const char * GetSymbol(const unsigned short atomicNum);
// Description:
// Given an atomic number, returns the name of the element
const char * GetElementName(const unsigned short atomicNum);
// Description:
// 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);
// Description:
// Given an atomic number, return the covalent radius of the atom
float GetCovalentRadius(const unsigned short atomicNum);
// Description:
// Given an atomic number, returns the van der Waals radius of the
// atom
float GetVDWRadius(const unsigned short atomicNum);
// Description:
// Fill the given vtkLookupTable to map atomic numbers to the
// familiar RGB tuples provided by the Blue Obelisk Data Repository
void GetDefaultLUT(vtkLookupTable *);
// Description:
// Given an atomic number, return the familiar RGB tuple provided by
// the Blue Obelisk Data Repository
void GetDefaultRGBTuple(unsigned short atomicNum, float rgb[3]);
// Description:
// 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&); // Not implemented
void operator=(const vtkPeriodicTable&); // Not implemented
};
#endif
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