gemmi::EnerLib Struct Reference

#include <monlib.hpp>

Classes
struct	Atom
struct	Bond

Public Types
enum class	RadiusType { Vdw , Vdwh , Ion }

Public Member Functions
	EnerLib ()
void	read (const cif::Document &doc)

Public Attributes
std::map< std::string, Atom >	atoms
std::multimap< std::string, Bond >	bonds

Detailed Description

Definition at line 90 of file monlib.hpp.

Member Enumeration Documentation

RadiusType

enum class gemmi::EnerLib::RadiusType

strong

Enumerator
Vdw
Vdwh
Ion

Definition at line 91 of file monlib.hpp.

Constructor & Destructor Documentation

EnerLib()

gemmi::EnerLib::EnerLib ( )

inline

Definition at line 108 of file monlib.hpp.

Member Function Documentation

read()

void gemmi::EnerLib::read ( const cif::Document &  doc )

inline

Definition at line 109 of file monlib.hpp.

Member Data Documentation

atoms

std::map<std::string, Atom> gemmi::EnerLib::atoms

Definition at line 122 of file monlib.hpp.

bonds

std::multimap<std::string, Bond> gemmi::EnerLib::bonds

Definition at line 123 of file monlib.hpp.

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The documentation for this struct was generated from the following file:

• /home/wojdyr/gemmi/gemmi/include/gemmi/monlib.hpp