Element type information classes. More...
#include "boost/optional/optional_fwd.hpp"
#include "Utils/Geometry/ElementTypes.h"
#include <array>
#include <map>
#include <vector>
Go to the source code of this file.
Data Structures | |
class | Scine::Molassembler::AtomInfo::ElementInfo |
Stores information about an element. More... | |
Namespaces | |
Scine::Molassembler | |
Central library namespace. | |
Scine::Molassembler::AtomInfo | |
Information on particular element types. | |
Functions | |
const std::array< double, 110 > & | Scine::Molassembler::AtomInfo::bondRadii () |
double | Scine::Molassembler::AtomInfo::bondRadius (Utils::ElementType elementType) |
const std::array< ElementInfo, 110 > & | Scine::Molassembler::AtomInfo::elementData () |
bool | Scine::Molassembler::AtomInfo::isMainGroupElement (Utils::ElementType elementType) |
boost::optional< unsigned > | Scine::Molassembler::AtomInfo::mainGroupVE (Utils::ElementType elementType) |
unsigned | Scine::Molassembler::AtomInfo::dElectronCount (Utils::ElementType elementType) |
double | Scine::Molassembler::AtomInfo::vdwRadius (Utils::ElementType elementType) |
Accessor function to fetch the vdw radius directly from elementData. | |
Element type information classes.