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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

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

Typedefs

typedef std::vector
< MassAbundance > 
pwiz::chemistry::MassDistribution
 struct for holding isotope distribution More...
 

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 Record & pwiz::chemistry::Element::Info::record (Type type)
 retrieve the record for an element More...
 
PWIZ_API_DECL const Record & pwiz::chemistry::Element::Info::record (const std::string &symbol)
 retrieve the record for an element More...
 
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 More...
 

Variables

const double pwiz::chemistry::Proton = 1.00727646688
 the mass of a proton in unified atomic mass units More...
 
const double pwiz::chemistry::Neutron = 1.00866491560
 the mass of a neutron in unified atomic mass units More...
 
const double pwiz::chemistry::Electron = 0.00054857991
 the mass of an electron in unified atomic mass units More...
 
 C
 
 H
 
 O
 
 N
 
 S
 
 P
 
 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
 

Variable Documentation

C

Definition at line 80 of file Chemistry.hpp.

Referenced by test(), testFormula(), testFormulaOperations(), testInfo(), and testProbabilites().

H
O

Definition at line 80 of file Chemistry.hpp.

Referenced by test(), and testFormulaOperations().

N
S

Definition at line 80 of file Chemistry.hpp.

Referenced by infoExample(), test(), and testFormulaOperations().

P

Definition at line 80 of file Chemistry.hpp.

He

Definition at line 80 of file Chemistry.hpp.

Li

Definition at line 80 of file Chemistry.hpp.

Be

Definition at line 80 of file Chemistry.hpp.

B

Definition at line 80 of file Chemistry.hpp.

F

Definition at line 80 of file Chemistry.hpp.

Referenced by pwiz::math::qr(), pwiz::math::Reflector(), and testReflector().

Ne

Definition at line 80 of file Chemistry.hpp.

Na

Definition at line 80 of file Chemistry.hpp.

Mg

Definition at line 80 of file Chemistry.hpp.

Al

Definition at line 80 of file Chemistry.hpp.

Si

Definition at line 80 of file Chemistry.hpp.

Cl

Definition at line 80 of file Chemistry.hpp.

Ar

Definition at line 80 of file Chemistry.hpp.

K

Definition at line 80 of file Chemistry.hpp.

Ca

Definition at line 80 of file Chemistry.hpp.

Referenced by testInfo().

Sc

Definition at line 80 of file Chemistry.hpp.

Ti

Definition at line 80 of file Chemistry.hpp.

V

Definition at line 80 of file Chemistry.hpp.

Cr

Definition at line 80 of file Chemistry.hpp.

Mn

Definition at line 80 of file Chemistry.hpp.

Fe

Definition at line 80 of file Chemistry.hpp.

Co

Definition at line 80 of file Chemistry.hpp.

Ni

Definition at line 80 of file Chemistry.hpp.

Cu

Definition at line 80 of file Chemistry.hpp.

Zn

Definition at line 80 of file Chemistry.hpp.

Ga

Definition at line 80 of file Chemistry.hpp.

Ge

Definition at line 80 of file Chemistry.hpp.

As

Definition at line 80 of file Chemistry.hpp.

Se

Definition at line 80 of file Chemistry.hpp.

Referenced by test(), and testSulfur().

Br

Definition at line 80 of file Chemistry.hpp.

Kr

Definition at line 80 of file Chemistry.hpp.

Rb

Definition at line 80 of file Chemistry.hpp.

Sr

Definition at line 80 of file Chemistry.hpp.

Y

Definition at line 80 of file Chemistry.hpp.

Zr

Definition at line 80 of file Chemistry.hpp.

Nb

Definition at line 80 of file Chemistry.hpp.

Mo

Definition at line 80 of file Chemistry.hpp.

Tc

Definition at line 80 of file Chemistry.hpp.

Ru

Definition at line 80 of file Chemistry.hpp.

Rh

Definition at line 80 of file Chemistry.hpp.

Pd

Definition at line 80 of file Chemistry.hpp.

Ag

Definition at line 80 of file Chemistry.hpp.

Cd

Definition at line 80 of file Chemistry.hpp.

In

Definition at line 80 of file Chemistry.hpp.

Sn

Definition at line 80 of file Chemistry.hpp.

Sb

Definition at line 80 of file Chemistry.hpp.

Te

Definition at line 80 of file Chemistry.hpp.

I

Definition at line 80 of file Chemistry.hpp.

Xe

Definition at line 80 of file Chemistry.hpp.

Cs

Definition at line 80 of file Chemistry.hpp.

Ba

Definition at line 80 of file Chemistry.hpp.

La

Definition at line 80 of file Chemistry.hpp.

Ce

Definition at line 80 of file Chemistry.hpp.

Pr

Definition at line 80 of file Chemistry.hpp.

Nd

Definition at line 80 of file Chemistry.hpp.

Pm

Definition at line 80 of file Chemistry.hpp.

Sm

Definition at line 80 of file Chemistry.hpp.

Eu

Definition at line 80 of file Chemistry.hpp.

Gd

Definition at line 80 of file Chemistry.hpp.

Tb

Definition at line 80 of file Chemistry.hpp.

Dy

Definition at line 80 of file Chemistry.hpp.

Ho

Definition at line 80 of file Chemistry.hpp.

Er

Definition at line 80 of file Chemistry.hpp.

Tm

Definition at line 80 of file Chemistry.hpp.

Yb

Definition at line 80 of file Chemistry.hpp.

Lu

Definition at line 80 of file Chemistry.hpp.

Hf

Definition at line 80 of file Chemistry.hpp.

Ta

Definition at line 80 of file Chemistry.hpp.

W

Definition at line 80 of file Chemistry.hpp.

Re

Definition at line 80 of file Chemistry.hpp.

Os

Definition at line 80 of file Chemistry.hpp.

Ir

Definition at line 80 of file Chemistry.hpp.

Pt

Definition at line 80 of file Chemistry.hpp.

Au

Definition at line 80 of file Chemistry.hpp.

Hg

Definition at line 80 of file Chemistry.hpp.

Tl

Definition at line 80 of file Chemistry.hpp.

Pb

Definition at line 80 of file Chemistry.hpp.

Bi

Definition at line 80 of file Chemistry.hpp.

Po

Definition at line 80 of file Chemistry.hpp.

At

Definition at line 80 of file Chemistry.hpp.

Rn

Definition at line 80 of file Chemistry.hpp.

Fr

Definition at line 80 of file Chemistry.hpp.

Ra

Definition at line 80 of file Chemistry.hpp.

Ac

Definition at line 80 of file Chemistry.hpp.

Th

Definition at line 80 of file Chemistry.hpp.

Pa

Definition at line 80 of file Chemistry.hpp.

U

Definition at line 80 of file Chemistry.hpp.

Referenced by testFormula(), and testInfo().

Np

Definition at line 80 of file Chemistry.hpp.

Pu

Definition at line 80 of file Chemistry.hpp.

Am

Definition at line 80 of file Chemistry.hpp.

Cm

Definition at line 80 of file Chemistry.hpp.

Bk

Definition at line 80 of file Chemistry.hpp.

Cf

Definition at line 80 of file Chemistry.hpp.

Es

Definition at line 80 of file Chemistry.hpp.

Fm

Definition at line 80 of file Chemistry.hpp.

Md

Definition at line 80 of file Chemistry.hpp.

No

Definition at line 80 of file Chemistry.hpp.

Lr

Definition at line 80 of file Chemistry.hpp.

Rf

Definition at line 80 of file Chemistry.hpp.

Db

Definition at line 80 of file Chemistry.hpp.

Sg

Definition at line 80 of file Chemistry.hpp.

Bh

Definition at line 80 of file Chemistry.hpp.

Hs

Definition at line 80 of file Chemistry.hpp.

Mt

Definition at line 80 of file Chemistry.hpp.

Uun

Definition at line 80 of file Chemistry.hpp.

Uuu

Definition at line 80 of file Chemistry.hpp.

Uub

Definition at line 80 of file Chemistry.hpp.

Uuq

Definition at line 80 of file Chemistry.hpp.