ProteoWizard
Classes | Namespaces | Typedefs | Functions | Variables
Chemistry.hpp File Reference
#include "pwiz/utility/misc/Export.hpp"
#include <iosfwd>
#include <string>
#include <vector>
#include "pwiz/utility/misc/virtual_map.hpp"
#include <boost/shared_ptr.hpp>

Go to the source code of this file.

Classes

struct  pwiz::chemistry::MassAbundance
 struct for holding isotope information More...
 
struct  pwiz::chemistry::Element::Info::Record
 
class  pwiz::chemistry::Formula
 class to represent a chemical formula More...
 

Namespaces

namespace  pwiz
 
namespace  pwiz::chemistry
 
namespace  pwiz::chemistry::Element
 scope for declarations related to elements
 
namespace  pwiz::chemistry::Element::Info
 class for obtaining information about elements
 

Typedefs

typedef std::vector< MassAbundancepwiz::chemistry::MassDistribution
 struct for holding isotope distribution
 

Functions

PWIZ_API_DECL std::ostream & pwiz::chemistry::operator<< (std::ostream &os, const MassAbundance &ma)
 
PWIZ_API_DECL std::ostream & pwiz::chemistry::operator<< (std::ostream &os, const MassDistribution &md)
 
PWIZ_API_DECL std::ostream & pwiz::chemistry::Element::operator<< (std::ostream &os, Type type)
 
PWIZ_API_DECL const Recordpwiz::chemistry::Element::Info::record (Type type)
 retrieve the record for an element
 
PWIZ_API_DECL const Recordpwiz::chemistry::Element::Info::record (const std::string &symbol)
 retrieve the record for an element
 
PWIZ_API_DECL std::ostream & pwiz::chemistry::Element::operator<< (std::ostream &os, const Info::Record &record)
 
PWIZ_API_DECL Formula pwiz::chemistry::operator+ (const Formula &a, const Formula &b)
 
PWIZ_API_DECL Formula pwiz::chemistry::operator- (const Formula &a, const Formula &b)
 
PWIZ_API_DECL Formula pwiz::chemistry::operator* (const Formula &a, int scalar)
 
PWIZ_API_DECL Formula pwiz::chemistry::operator* (int scalar, const Formula &a)
 
PWIZ_API_DECL std::ostream & pwiz::chemistry::operator<< (std::ostream &os, const Formula &formula)
 output a Formula
 

Variables

const double pwiz::chemistry::Proton = 1.00727646688
 the mass of a proton in unified atomic mass units
 
const double pwiz::chemistry::Neutron = 1.00866491560
 the mass of a neutron in unified atomic mass units
 
const double pwiz::chemistry::Electron = 0.00054857991
 the mass of an electron in unified atomic mass units
 
 C
 
 H
 
 O
 
 N
 
 S
 
 P
 
 _13C
 
 _2H
 
 _18O
 
 _15N
 
 He
 
 Li
 
 Be
 
 B
 
 F
 
 Ne
 
 Na
 
 Mg
 
 Al
 
 Si
 
 Cl
 
 Ar
 
 K
 
 Ca
 
 Sc
 
 Ti
 
 V
 
 Cr
 
 Mn
 
 Fe
 
 Co
 
 Ni
 
 Cu
 
 Zn
 
 Ga
 
 Ge
 
 As
 
 Se
 
 Br
 
 Kr
 
 Rb
 
 Sr
 
 Y
 
 Zr
 
 Nb
 
 Mo
 
 Tc
 
 Ru
 
 Rh
 
 Pd
 
 Ag
 
 Cd
 
 In
 
 Sn
 
 Sb
 
 Te
 
 I
 
 Xe
 
 Cs
 
 Ba
 
 La
 
 Ce
 
 Pr
 
 Nd
 
 Pm
 
 Sm
 
 Eu
 
 Gd
 
 Tb
 
 Dy
 
 Ho
 
 Er
 
 Tm
 
 Yb
 
 Lu
 
 Hf
 
 Ta
 
 W
 
 Re
 
 Os
 
 Ir
 
 Pt
 
 Au
 
 Hg
 
 Tl
 
 Pb
 
 Bi
 
 Po
 
 At
 
 Rn
 
 Fr
 
 Ra
 
 Ac
 
 Th
 
 Pa
 
 U
 
 Np
 
 Pu
 
 Am
 
 Cm
 
 Bk
 
 Cf
 
 Es
 
 Fm
 
 Md
 
 No
 
 Lr
 
 Rf
 
 Db
 
 Sg
 
 Bh
 
 Hs
 
 Mt
 
 Uun
 
 Uuu
 
 Uub
 
 Uuq
 
 Uuh
 

Variable Documentation

◆ C

C

Definition at line 80 of file Chemistry.hpp.

Referenced by MatrixIOTest::MultiReadWrite(), test(), and testFormulaOperations().

◆ H

H

◆ O

O

Definition at line 80 of file Chemistry.hpp.

Referenced by test(), and testFormulaOperations().

◆ N

N

◆ S

S

Definition at line 80 of file Chemistry.hpp.

Referenced by test(), and testFormulaOperations().

◆ P

P

Definition at line 80 of file Chemistry.hpp.

◆ _13C

_13C

Definition at line 80 of file Chemistry.hpp.

◆ _2H

_2H

Definition at line 80 of file Chemistry.hpp.

◆ _18O

_18O

Definition at line 80 of file Chemistry.hpp.

◆ _15N

_15N

Definition at line 80 of file Chemistry.hpp.

◆ He

He

Definition at line 81 of file Chemistry.hpp.

◆ Li

Li

Definition at line 81 of file Chemistry.hpp.

◆ Be

Be

Definition at line 81 of file Chemistry.hpp.

◆ B

B

Definition at line 81 of file Chemistry.hpp.

Referenced by MatrixIOTest::MultiReadWrite().

◆ F

F

◆ Ne

Ne

Definition at line 81 of file Chemistry.hpp.

◆ Na

Na

Definition at line 82 of file Chemistry.hpp.

◆ Mg

Mg

Definition at line 82 of file Chemistry.hpp.

◆ Al

Al

Definition at line 82 of file Chemistry.hpp.

◆ Si

Si

Definition at line 82 of file Chemistry.hpp.

◆ Cl

Cl

Definition at line 82 of file Chemistry.hpp.

◆ Ar

Ar

Definition at line 82 of file Chemistry.hpp.

◆ K

K

Definition at line 82 of file Chemistry.hpp.

◆ Ca

Ca

Definition at line 82 of file Chemistry.hpp.

◆ Sc

Sc

Definition at line 83 of file Chemistry.hpp.

◆ Ti

Ti

Definition at line 83 of file Chemistry.hpp.

◆ V

V

Definition at line 83 of file Chemistry.hpp.

◆ Cr

Cr

Definition at line 83 of file Chemistry.hpp.

◆ Mn

Mn

Definition at line 83 of file Chemistry.hpp.

◆ Fe

Fe

Definition at line 83 of file Chemistry.hpp.

◆ Co

Co

Definition at line 83 of file Chemistry.hpp.

◆ Ni

Ni

Definition at line 83 of file Chemistry.hpp.

◆ Cu

Cu

Definition at line 83 of file Chemistry.hpp.

◆ Zn

Zn

Definition at line 83 of file Chemistry.hpp.

◆ Ga

Ga

Definition at line 84 of file Chemistry.hpp.

◆ Ge

Ge

Definition at line 84 of file Chemistry.hpp.

◆ As

As

Definition at line 84 of file Chemistry.hpp.

◆ Se

Se

Definition at line 84 of file Chemistry.hpp.

Referenced by test().

◆ Br

Br

Definition at line 84 of file Chemistry.hpp.

◆ Kr

Kr

Definition at line 84 of file Chemistry.hpp.

◆ Rb

Rb

Definition at line 84 of file Chemistry.hpp.

◆ Sr

Sr

Definition at line 84 of file Chemistry.hpp.

◆ Y

Y

Definition at line 84 of file Chemistry.hpp.

◆ Zr

Zr

Definition at line 84 of file Chemistry.hpp.

◆ Nb

Nb

Definition at line 85 of file Chemistry.hpp.

◆ Mo

Mo

Definition at line 85 of file Chemistry.hpp.

◆ Tc

Tc

Definition at line 85 of file Chemistry.hpp.

◆ Ru

Ru

Definition at line 85 of file Chemistry.hpp.

◆ Rh

Rh

Definition at line 85 of file Chemistry.hpp.

◆ Pd

Pd

Definition at line 85 of file Chemistry.hpp.

◆ Ag

Ag

Definition at line 85 of file Chemistry.hpp.

◆ Cd

Cd

Definition at line 85 of file Chemistry.hpp.

◆ In

In

Definition at line 85 of file Chemistry.hpp.

◆ Sn

Sn

Definition at line 85 of file Chemistry.hpp.

◆ Sb

Sb

Definition at line 86 of file Chemistry.hpp.

◆ Te

Te

Definition at line 86 of file Chemistry.hpp.

◆ I

I

Definition at line 86 of file Chemistry.hpp.

◆ Xe

Xe

Definition at line 86 of file Chemistry.hpp.

◆ Cs

Cs

Definition at line 86 of file Chemistry.hpp.

◆ Ba

Ba

Definition at line 86 of file Chemistry.hpp.

◆ La

La

Definition at line 86 of file Chemistry.hpp.

◆ Ce

Ce

Definition at line 86 of file Chemistry.hpp.

◆ Pr

Pr

Definition at line 86 of file Chemistry.hpp.

◆ Nd

Nd

Definition at line 86 of file Chemistry.hpp.

◆ Pm

Pm

Definition at line 87 of file Chemistry.hpp.

◆ Sm

Sm

Definition at line 87 of file Chemistry.hpp.

◆ Eu

Eu

Definition at line 87 of file Chemistry.hpp.

◆ Gd

Gd

Definition at line 87 of file Chemistry.hpp.

◆ Tb

Tb

Definition at line 87 of file Chemistry.hpp.

◆ Dy

Dy

Definition at line 87 of file Chemistry.hpp.

◆ Ho

Ho

Definition at line 87 of file Chemistry.hpp.

◆ Er

Er

Definition at line 87 of file Chemistry.hpp.

◆ Tm

Tm

Definition at line 87 of file Chemistry.hpp.

◆ Yb

Yb

Definition at line 87 of file Chemistry.hpp.

◆ Lu

Lu

Definition at line 88 of file Chemistry.hpp.

◆ Hf

Hf

Definition at line 88 of file Chemistry.hpp.

◆ Ta

Ta

Definition at line 88 of file Chemistry.hpp.

◆ W

W

Definition at line 88 of file Chemistry.hpp.

◆ Re

Re

Definition at line 88 of file Chemistry.hpp.

◆ Os

Os

Definition at line 88 of file Chemistry.hpp.

◆ Ir

Ir

Definition at line 88 of file Chemistry.hpp.

◆ Pt

Pt

Definition at line 88 of file Chemistry.hpp.

◆ Au

Au

Definition at line 88 of file Chemistry.hpp.

◆ Hg

Hg

Definition at line 88 of file Chemistry.hpp.

◆ Tl

Tl

Definition at line 89 of file Chemistry.hpp.

◆ Pb

Pb

Definition at line 89 of file Chemistry.hpp.

◆ Bi

Bi

Definition at line 89 of file Chemistry.hpp.

◆ Po

Po

Definition at line 89 of file Chemistry.hpp.

◆ At

At

Definition at line 89 of file Chemistry.hpp.

◆ Rn

Rn

Definition at line 89 of file Chemistry.hpp.

◆ Fr

Fr

Definition at line 89 of file Chemistry.hpp.

◆ Ra

Ra

Definition at line 89 of file Chemistry.hpp.

◆ Ac

Ac

Definition at line 89 of file Chemistry.hpp.

◆ Th

Th

Definition at line 89 of file Chemistry.hpp.

◆ Pa

Pa

Definition at line 90 of file Chemistry.hpp.

◆ U

U

Definition at line 90 of file Chemistry.hpp.

◆ Np

Np

Definition at line 90 of file Chemistry.hpp.

◆ Pu

Pu

Definition at line 90 of file Chemistry.hpp.

◆ Am

Am

Definition at line 90 of file Chemistry.hpp.

◆ Cm

Cm

Definition at line 90 of file Chemistry.hpp.

◆ Bk

Bk

Definition at line 90 of file Chemistry.hpp.

◆ Cf

Cf

Definition at line 90 of file Chemistry.hpp.

◆ Es

Es

Definition at line 90 of file Chemistry.hpp.

◆ Fm

Fm

Definition at line 90 of file Chemistry.hpp.

◆ Md

Md

Definition at line 91 of file Chemistry.hpp.

◆ No

No

Definition at line 91 of file Chemistry.hpp.

◆ Lr

Lr

Definition at line 91 of file Chemistry.hpp.

◆ Rf

Rf

Definition at line 91 of file Chemistry.hpp.

◆ Db

Db

Definition at line 91 of file Chemistry.hpp.

◆ Sg

Sg

Definition at line 91 of file Chemistry.hpp.

◆ Bh

Bh

Definition at line 91 of file Chemistry.hpp.

◆ Hs

Hs

Definition at line 91 of file Chemistry.hpp.

◆ Mt

Mt

Definition at line 91 of file Chemistry.hpp.

◆ Uun

Uun

Definition at line 91 of file Chemistry.hpp.

◆ Uuu

Uuu

Definition at line 92 of file Chemistry.hpp.

◆ Uub

Uub

Definition at line 92 of file Chemistry.hpp.

◆ Uuq

Uuq

Definition at line 92 of file Chemistry.hpp.

◆ Uuh

Uuh

Definition at line 92 of file Chemistry.hpp.