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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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