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
	AMTContainer.hpp.
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 < MassAbundance >	pwiz::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 Record &	pwiz::chemistry::Element::Info::record (Type type)
	retrieve the record for an element
PWIZ_API_DECL const Record &	pwiz::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
	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

Definition at line 80 of file Chemistry.hpp.

Referenced by pwiz::math::HouseholderQR(), test(), testFormulaOperations(), and testInfo().

O

Definition at line 80 of file Chemistry.hpp.

Referenced by test(), and testFormulaOperations().

N

Definition at line 80 of file Chemistry.hpp.

Referenced by test(), and testFormulaOperations().

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.