#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' |
Definition at line 30 of file chem_type.hh.
ChemType | ( | char | chem_type | ) | [inline, explicit] |
Definition at line 42 of file chem_type.hh.
ChemType | ( | ) | [inline] |
Definition at line 46 of file chem_type.hh.
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.
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.