26#ifndef vtkPeriodicTable_h
27#define vtkPeriodicTable_h
29#include "vtkDomainsChemistryModule.h"
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
Allocate and hold a VTK object.
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...
float GetMaxVDWRadius()
Given an atomic number, returns the van der Waals radius of the atom.
const char * GetSymbol(unsigned short atomicNum)
Given an atomic number, returns the symbol associated with the element.
float GetVDWRadius(unsigned short atomicNum)
Given an atomic number, returns the van der Waals radius of the atom.
~vtkPeriodicTable() override
const char * GetElementName(unsigned short atomicNum)
Given an atomic number, returns the name of the element.
float GetCovalentRadius(unsigned short atomicNum)
Given an atomic number, return the covalent radius of the atom.
void PrintSelf(ostream &os, vtkIndent indent) override
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.
static vtkPeriodicTable * New()
void GetDefaultLUT(vtkLookupTable *)
Fill the given vtkLookupTable to map atomic numbers to the familiar RGB tuples provided by the Blue O...
unsigned short GetAtomicNumber(const char *str)
Given a case-insensitive string that contains the symbol or name of an element, return the correspond...
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.