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