class to represent a chemical formula
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#include <Chemistry.hpp>
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typedef std::map< Element::Type, int > | Map |
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boost::shared_ptr< Impl > | impl_ |
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class to represent a chemical formula
Definition at line 133 of file Chemistry.hpp.
◆ Map
◆ Formula() [1/3]
pwiz::chemistry::Formula::Formula |
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const std::string & |
formula = "" | ) |
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formula string given by symbol/count pairs, e.g. water: "H2 O1" (whitespace optional)
◆ Formula() [2/3]
pwiz::chemistry::Formula::Formula |
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const char * |
formula | ) |
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◆ Formula() [3/3]
pwiz::chemistry::Formula::Formula |
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const Formula & |
formula | ) |
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◆ ~Formula()
pwiz::chemistry::Formula::~Formula |
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◆ operator=()
const Formula & pwiz::chemistry::Formula::operator= |
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const Formula & |
formula | ) |
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◆ monoisotopicMass()
double pwiz::chemistry::Formula::monoisotopicMass |
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const |
◆ molecularWeight()
double pwiz::chemistry::Formula::molecularWeight |
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const |
◆ formula()
std::string pwiz::chemistry::Formula::formula |
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const |
◆ operator[]() [1/2]
int pwiz::chemistry::Formula::operator[] |
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Element::Type |
e | ) |
const |
access to the Element's count in the formula
◆ operator[]() [2/2]
int & pwiz::chemistry::Formula::operator[] |
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Element::Type |
e | ) |
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◆ data()
Map pwiz::chemistry::Formula::data |
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const |
◆ operator+=()
Formula & pwiz::chemistry::Formula::operator+= |
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const Formula & |
that | ) |
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◆ operator-=()
Formula & pwiz::chemistry::Formula::operator-= |
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const Formula & |
that | ) |
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◆ operator*=()
Formula & pwiz::chemistry::Formula::operator*= |
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int |
scalar | ) |
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◆ operator==()
bool pwiz::chemistry::Formula::operator== |
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const Formula & |
that | ) |
const |
formulas are equal iff their elemental compositions are equal
◆ operator!=()
bool pwiz::chemistry::Formula::operator!= |
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const Formula & |
that | ) |
const |
◆ impl_
boost::shared_ptr<Impl> pwiz::chemistry::Formula::impl_ |
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private |
The documentation for this class was generated from the following file:
- /build/libpwiz-N22iMW/libpwiz-3.0.18342/pwiz/utility/chemistry/Chemistry.hpp