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Chemistry
vtkPeriodicTable.h
Go to the documentation of this file.
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/*=========================================================================
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Program: Visualization Toolkit
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Module: vtkPeriodicTable.h
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Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
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All rights reserved.
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See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
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This software is distributed WITHOUT ANY WARRANTY; without even
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the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
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PURPOSE. See the above copyright notice for more information.
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=========================================================================*/
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#ifndef __vtkPeriodicTable_h
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#define __vtkPeriodicTable_h
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#include "
vtkDomainsChemistryModule.h
"
// For export macro
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#include "
vtkObject.h
"
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#include "
vtkNew.h
"
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class
vtkBlueObeliskData
;
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class
vtkColor3f
;
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class
vtkLookupTable
;
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class
vtkStdString
;
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class
VTKDOMAINSCHEMISTRY_EXPORT
vtkPeriodicTable
:
public
vtkObject
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{
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public
:
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vtkTypeMacro(
vtkPeriodicTable
,
vtkObject
);
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void
PrintSelf
(ostream& os,
vtkIndent
indent);
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static
vtkPeriodicTable
*
New
();
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vtkGetNewMacro(BlueObeliskData,
vtkBlueObeliskData
);
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unsigned
short
GetNumberOfElements();
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const
char
* GetSymbol(
const
unsigned
short
atomicNum);
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const
char
* GetElementName(
const
unsigned
short
atomicNum);
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unsigned
short
GetAtomicNumber(
const
vtkStdString
&str);
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unsigned
short
GetAtomicNumber(
const
char
*str);
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float
GetCovalentRadius(
const
unsigned
short
atomicNum);
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float
GetVDWRadius(
const
unsigned
short
atomicNum);
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void
GetDefaultLUT(
vtkLookupTable
*);
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void
GetDefaultRGBTuple(
unsigned
short
atomicNum,
float
rgb[3]);
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vtkColor3f
GetDefaultRGBTuple(
unsigned
short
atomicNum);
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protected
:
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vtkPeriodicTable
();
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~
vtkPeriodicTable
();
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static
vtkNew<vtkBlueObeliskData>
BlueObeliskData
;
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private
:
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vtkPeriodicTable
(
const
vtkPeriodicTable
&);
// Not implemented
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void
operator=(
const
vtkPeriodicTable
&);
// Not implemented
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};
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#endif
vtkStdString
Wrapper around std::string to keep symbols short.
Definition:
vtkStdString.h:46
vtkPeriodicTable
Access to information about the elements.
Definition:
vtkPeriodicTable.h:40
vtkPeriodicTable::BlueObeliskData
static vtkNew< vtkBlueObeliskData > BlueObeliskData
Definition:
vtkPeriodicTable.h:92
vtkObject
abstract base class for most VTK objects
Definition:
vtkObject.h:61
vtkDomainsChemistryModule.h
vtkLookupTable
map scalar values into colors via a lookup table
Definition:
vtkLookupTable.h:64
vtkObject::PrintSelf
virtual void PrintSelf(ostream &os, vtkIndent indent)
VTKDOMAINSCHEMISTRY_EXPORT
#define VTKDOMAINSCHEMISTRY_EXPORT
Definition:
vtkDomainsChemistryModule.h:15
vtkIndent
a simple class to control print indentation
Definition:
vtkIndent.h:38
vtkColor3f
Definition:
vtkColor.h:211
vtkNew.h
vtkNew< vtkBlueObeliskData >
vtkObject::New
static vtkObject * New()
vtkObject.h
vtkBlueObeliskData
Contains chemical data from the Blue Obelisk Data Repository.
Definition:
vtkBlueObeliskData.h:51
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