/usr/include/libpwiz/pwiz/data/proteome/AminoAcid.hpp is in libpwiz-dev 3.0.9393-1+b2.
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// $Id: AminoAcid.hpp 1808 2010-02-12 21:01:48Z chambm $
//
//
// Original author: Darren Kessner <darren@proteowizard.org>
//
// Copyright 2006 Louis Warschaw Prostate Cancer Center
// Cedars Sinai Medical Center, Los Angeles, California 90048
//
// Licensed under the Apache License, Version 2.0 (the "License");
// you may not use this file except in compliance with the License.
// You may obtain a copy of the License at
//
// http://www.apache.org/licenses/LICENSE-2.0
//
// Unless required by applicable law or agreed to in writing, software
// distributed under the License is distributed on an "AS IS" BASIS,
// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
// See the License for the specific language governing permissions and
// limitations under the License.
//
#ifndef _AMINOACID_HPP_
#define _AMINOACID_HPP_
#include "pwiz/utility/misc/Export.hpp"
#include "pwiz/utility/chemistry/Chemistry.hpp"
#include <string>
#include <memory>
namespace pwiz {
namespace proteome {
/// scope for types related to amino acids
namespace AminoAcid {
/// enumeration of the amino acids
enum PWIZ_API_DECL Type
{
Alanine,
Cysteine,
AsparticAcid,
GlutamicAcid,
Phenylalanine,
Glycine,
Histidine,
Isoleucine,
Lysine,
Leucine,
Methionine,
Asparagine,
Proline,
Glutamine,
Arginine,
Serine,
Threonine,
Valine,
Tryptophan,
Tyrosine,
Selenocysteine,
AspX,
GlutX,
Unknown
};
/// class for accessing information about the amino acids
namespace Info
{
/// struct for holding data for a single amino acid
struct PWIZ_API_DECL Record
{
std::string name;
std::string abbreviation;
char symbol;
chemistry::Formula residueFormula;
chemistry::Formula formula;
double abundance;
};
/// returns the amino acid's Record by type
PWIZ_API_DECL const Record& record(Type type);
/// returns the amino acid's Record by symbol (may throw)
PWIZ_API_DECL const Record& record(char symbol);
} // namespace Info
} // namespace AminoAcid
} // namespace proteome
} // namespace pwiz
#endif // _AMINOACID_HPP_
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