ProteoWizard
ChemistryData.hpp
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1 //
2 // $Id$
3 //
4 //
5 // Original author: Darren Kessner <darren@proteowizard.org>
6 //
7 // Copyright 2006 Louis Warschaw Prostate Cancer Center
8 // Cedars Sinai Medical Center, Los Angeles, California 90048
9 //
10 // Licensed under the Apache License, Version 2.0 (the "License");
11 // you may not use this file except in compliance with the License.
12 // You may obtain a copy of the License at
13 //
14 // http://www.apache.org/licenses/LICENSE-2.0
15 //
16 // Unless required by applicable law or agreed to in writing, software
17 // distributed under the License is distributed on an "AS IS" BASIS,
18 // WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
19 // See the License for the specific language governing permissions and
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21 //
22 
23 
24 #ifndef _CHEMISTRYDATA_HPP_
25 #define _CHEMISTRYDATA_HPP_
26 
27 
29 #include "Chemistry.hpp"
30 
31 
32 namespace pwiz {
33 namespace chemistry {
34 namespace detail {
35 
36 
38 
39 
41 {
42  double mass;
43  double abundance;
44 };
45 
46 
48 {
50  const char* symbol;
52  double atomicWeight;
55  const char* synonym; // As with "D" for "_2H"
56 };
57 
58 
61 
62 
63 } // namespace detail
64 } // namespace chemistry
65 } // namespace pwiz
66 
67 
68 #endif // _CHEMISTRYDATA_HPP_
69 
pwiz::chemistry::detail::Element::synonym
const char * synonym
Definition: ChemistryData.hpp:55
pwiz
Definition: ChromatogramList_Filter.hpp:36
pwiz::chemistry::detail::Element::isotopes
Isotope * isotopes
Definition: ChemistryData.hpp:53
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::Isotope::mass
double mass
Definition: ChemistryData.hpp:42
Export.hpp
pwiz::chemistry::detail::Element::atomicNumber
int atomicNumber
Definition: ChemistryData.hpp:51
pwiz::chemistry::detail::Isotope
Definition: ChemistryData.hpp:40
pwiz::chemistry::detail::elements
PWIZ_API_DECL Element * elements()
pwiz::chemistry::detail::Element::isotopesSize
int isotopesSize
Definition: ChemistryData.hpp:54
pwiz::chemistry::detail::elementsSize
PWIZ_API_DECL int elementsSize()
pwiz::chemistry::detail::Element
Definition: ChemistryData.hpp:47
pwiz::chemistry::detail::Element::atomicWeight
double atomicWeight
Definition: ChemistryData.hpp:52
pwiz::chemistry::detail::Type
pwiz::chemistry::Element::Type Type
Definition: ChemistryData.hpp:37
pwiz::chemistry::detail::Element::type
Type type
Definition: ChemistryData.hpp:49
pwiz::chemistry::detail::Isotope::abundance
double abundance
Definition: ChemistryData.hpp:43
Chemistry.hpp