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29 #ifndef vtkPeriodicTable_h
30 #define vtkPeriodicTable_h
32 #include "vtkDomainsChemistryModule.h"
static vtkPeriodicTable * New()
const char * GetSymbol(unsigned short atomicNum)
Given an atomic number, returns the symbol associated with the element.
abstract base class for most VTK objects
float GetCovalentRadius(unsigned short atomicNum)
Given an atomic number, return the covalent radius of the atom.
unsigned short GetAtomicNumber(const char *str)
vtkColor3f GetDefaultRGBTuple(unsigned short atomicNum)
Given an atomic number, return the familiar RGB tuple provided by the Blue Obelisk Data Repository.
void GetDefaultLUT(vtkLookupTable *)
Fill the given vtkLookupTable to map atomic numbers to the familiar RGB tuples provided by the Blue O...
Contains chemical data from the Blue Obelisk Data Repository.
a simple class to control print indentation
unsigned short GetAtomicNumber(const vtkStdString &str)
Given a case-insensitive string that contains the symbol or name of an element, return the correspond...
void GetDefaultRGBTuple(unsigned short atomicNum, float rgb[3])
Given an atomic number, return the familiar RGB tuple provided by the Blue Obelisk Data Repository.
float GetVDWRadius(unsigned short atomicNum)
Given an atomic number, returns the van der Waals radius of the atom.
Access to information about the elements.
map scalar values into colors via a lookup table
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
const char * GetElementName(unsigned short atomicNum)
Given an atomic number, returns the name of the element.
vtkGetNewMacro(BlueObeliskData, vtkBlueObeliskData)
Access the static vtkBlueObeliskData object for raw access to BODR data.
static vtkNew< vtkBlueObeliskData > BlueObeliskData
Wrapper around std::string to keep symbols short.
float GetMaxVDWRadius()
Given an atomic number, returns the van der Waals radius of the atom.
unsigned short GetNumberOfElements()
Returns the number of elements in the periodic table.
~vtkPeriodicTable() override