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'

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Detailed Description

Definition at line 30 of file chem_type.hh.

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Constructor & Destructor Documentation

ChemType ( char  chem_type )

inlineexplicit

Definition at line 42 of file chem_type.hh.

ChemType ( )

inline

Definition at line 46 of file chem_type.hh.

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Member Function Documentation

bool IsAminoAcid ( ) const

inline

Definition at line 71 of file chem_type.hh.

bool IsCoenzyme ( ) const

inline

Definition at line 75 of file chem_type.hh.

bool IsDrug ( ) const

inline

Definition at line 79 of file chem_type.hh.

bool IsIon ( ) const

inline

Definition at line 58 of file chem_type.hh.

bool IsKnown ( ) const

inline

Definition at line 91 of file chem_type.hh.

bool IsNonCanonical ( ) const

inline

Definition at line 87 of file chem_type.hh.

bool IsNucleotide ( ) const

inline

Definition at line 63 of file chem_type.hh.

bool IsSaccharide ( ) const

inline

Definition at line 67 of file chem_type.hh.

bool IsWater ( ) const

inline

Definition at line 83 of file chem_type.hh.

operator char ( ) const

inline

Definition at line 95 of file chem_type.hh.

bool operator!= ( const ChemType &  cc ) const

inline

Definition at line 54 of file chem_type.hh.

bool operator== ( const ChemType &  cc ) const

inline

Definition at line 50 of file chem_type.hh.

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Field Documentation

const char AMINOACIDS = 'A'

static

Definition at line 35 of file chem_type.hh.

const char COENZYMES = 'E'

static

Definition at line 36 of file chem_type.hh.

const char DRUGS = 'D'

static

Definition at line 38 of file chem_type.hh.

const char IONS = 'I'

static

Definition at line 31 of file chem_type.hh.

const char NONCANONICALMOLS = 'M'

static

Definition at line 32 of file chem_type.hh.

const char NUCLEOTIDES = 'N'

static

Definition at line 34 of file chem_type.hh.

const char SACCHARIDES = 'S'

static

Definition at line 33 of file chem_type.hh.

const char UNKNOWN = 'U'

static

Definition at line 40 of file chem_type.hh.

const char WATERCOORDIONS = 'C'

static

Definition at line 37 of file chem_type.hh.

const char WATERS = 'W'

static

Definition at line 39 of file chem_type.hh.

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

• stage/include/ost/mol/chem_type.hh