ProteoWizard
pwiz
utility
chemistry
ChemistryData.hpp
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//
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// $Id: ChemistryData.hpp 1638 2009-12-18 23:26:34Z chambm $
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//
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//
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// Original author: Darren Kessner <darren@proteowizard.org>
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//
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// Copyright 2006 Louis Warschaw Prostate Cancer Center
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// Cedars Sinai Medical Center, Los Angeles, California 90048
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//
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// Licensed under the Apache License, Version 2.0 (the "License");
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// you may not use this file except in compliance with the License.
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// You may obtain a copy of the License at
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//
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// http://www.apache.org/licenses/LICENSE-2.0
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//
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// Unless required by applicable law or agreed to in writing, software
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// distributed under the License is distributed on an "AS IS" BASIS,
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// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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// See the License for the specific language governing permissions and
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// limitations under the License.
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//
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#ifndef _CHEMISTRYDATA_HPP_
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#define _CHEMISTRYDATA_HPP_
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#include "
pwiz/utility/misc/Export.hpp
"
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#include "
Chemistry.hpp
"
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namespace
pwiz
{
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namespace
chemistry {
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namespace
detail {
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typedef
pwiz::chemistry::Element::Type
Type
;
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struct
PWIZ_API_DECL
Isotope
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{
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double
mass
;
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double
abundance
;
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};
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struct
PWIZ_API_DECL
Element
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{
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Type
type
;
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const
char
*
symbol
;
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int
atomicNumber
;
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double
atomicWeight
;
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Isotope
*
isotopes
;
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int
isotopesSize
;
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};
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PWIZ_API_DECL
Element
*
elements
();
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PWIZ_API_DECL
int
elementsSize
();
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}
// namespace detail
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}
// namespace chemistry
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}
// namespace pwiz
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#endif // _CHEMISTRYDATA_HPP_
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pwiz
Definition:
CwtPeakDetector.hpp:35
pwiz::chemistry::detail::Isotope::abundance
double abundance
Definition:
ChemistryData.hpp:43
pwiz::chemistry::detail::elements
PWIZ_API_DECL Element * elements()
pwiz::chemistry::detail::Element::atomicNumber
int atomicNumber
Definition:
ChemistryData.hpp:51
Chemistry.hpp
Export.hpp
pwiz::chemistry::detail::Isotope
Definition:
ChemistryData.hpp:40
pwiz::chemistry::detail::Element
Definition:
ChemistryData.hpp:47
pwiz::chemistry::detail::Element::type
Type type
Definition:
ChemistryData.hpp:49
PWIZ_API_DECL
#define PWIZ_API_DECL
Definition:
Export.hpp:32
pwiz::chemistry::detail::Element::symbol
const char * symbol
Definition:
ChemistryData.hpp:50
pwiz::chemistry::detail::Element::isotopesSize
int isotopesSize
Definition:
ChemistryData.hpp:54
pwiz::chemistry::detail::Isotope::mass
double mass
Definition:
ChemistryData.hpp:42
pwiz::chemistry::detail::Element::isotopes
Isotope * isotopes
Definition:
ChemistryData.hpp:53
pwiz::chemistry::detail::Type
pwiz::chemistry::Element::Type Type
Definition:
ChemistryData.hpp:37
pwiz::chemistry::detail::Element::atomicWeight
double atomicWeight
Definition:
ChemistryData.hpp:52
pwiz::chemistry::detail::elementsSize
PWIZ_API_DECL int elementsSize()
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