OpenStructure
Public Member Functions | Static Public Attributes
ChemType Struct Reference

#include <chem_type.hh>

Public Member Functions

 ChemType (char chem_type)
 
 ChemType ()
 
bool operator== (const ChemType &cc) const
 
bool operator!= (const ChemType &cc) const
 
bool IsIon () const
 
bool IsNucleotide () const
 
bool IsSaccharide () const
 
bool IsAminoAcid () const
 
bool IsCoenzyme () const
 
bool IsDrug () const
 
bool IsWater () const
 
bool IsNonCanonical () const
 
bool IsKnown () const
 
 operator char () const
 

Static Public Attributes

static const char IONS ='I'
 
static const char NONCANONICALMOLS ='M'
 
static const char SACCHARIDES ='S'
 
static const char NUCLEOTIDES ='N'
 
static const char AMINOACIDS ='A'
 
static const char COENZYMES ='E'
 
static const char WATERCOORDIONS ='C'
 
static const char DRUGS ='D'
 
static const char WATERS ='W'
 
static const char UNKNOWN ='U'
 

Detailed Description

Definition at line 30 of file chem_type.hh.

Constructor & Destructor Documentation

◆ ChemType() [1/2]

ChemType ( char  chem_type)
inlineexplicit

Definition at line 42 of file chem_type.hh.

◆ ChemType() [2/2]

ChemType ( )
inline

Definition at line 46 of file chem_type.hh.

Member Function Documentation

◆ IsAminoAcid()

bool IsAminoAcid ( ) const
inline

Definition at line 71 of file chem_type.hh.

◆ IsCoenzyme()

bool IsCoenzyme ( ) const
inline

Definition at line 75 of file chem_type.hh.

◆ IsDrug()

bool IsDrug ( ) const
inline

Definition at line 79 of file chem_type.hh.

◆ IsIon()

bool IsIon ( ) const
inline

Definition at line 58 of file chem_type.hh.

◆ IsKnown()

bool IsKnown ( ) const
inline

Definition at line 91 of file chem_type.hh.

◆ IsNonCanonical()

bool IsNonCanonical ( ) const
inline

Definition at line 87 of file chem_type.hh.

◆ IsNucleotide()

bool IsNucleotide ( ) const
inline

Definition at line 63 of file chem_type.hh.

◆ IsSaccharide()

bool IsSaccharide ( ) const
inline

Definition at line 67 of file chem_type.hh.

◆ IsWater()

bool IsWater ( ) const
inline

Definition at line 83 of file chem_type.hh.

◆ operator char()

operator char ( ) const
inline

Definition at line 95 of file chem_type.hh.

◆ operator!=()

bool operator!= ( const ChemType &  cc) const
inline

Definition at line 54 of file chem_type.hh.

◆ operator==()

bool operator== ( const ChemType &  cc) const
inline

Definition at line 50 of file chem_type.hh.

Field Documentation

◆ AMINOACIDS

const char AMINOACIDS ='A'
static

Definition at line 35 of file chem_type.hh.

◆ COENZYMES

const char COENZYMES ='E'
static

Definition at line 36 of file chem_type.hh.

◆ DRUGS

const char DRUGS ='D'
static

Definition at line 38 of file chem_type.hh.

◆ IONS

const char IONS ='I'
static

Definition at line 31 of file chem_type.hh.

◆ NONCANONICALMOLS

const char NONCANONICALMOLS ='M'
static

Definition at line 32 of file chem_type.hh.

◆ NUCLEOTIDES

const char NUCLEOTIDES ='N'
static

Definition at line 34 of file chem_type.hh.

◆ SACCHARIDES

const char SACCHARIDES ='S'
static

Definition at line 33 of file chem_type.hh.

◆ UNKNOWN

const char UNKNOWN ='U'
static

Definition at line 40 of file chem_type.hh.

◆ WATERCOORDIONS

const char WATERCOORDIONS ='C'
static

Definition at line 37 of file chem_type.hh.

◆ WATERS

const char WATERS ='W'
static

Definition at line 39 of file chem_type.hh.

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