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//
// $Id$
//
//
// Original author: Darren Kessner <darren@proteowizard.org>
//
// Copyright 2009 Center for Applied Molecular Medicine
// University of Southern California, Los Angeles, CA
//
// 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.
//
#define PWIZ_SOURCE
#include "MZTolerance.hpp"
#include "pwiz/utility/misc/Std.hpp"
#include <cstring>
namespace pwiz {
namespace chemistry {
PWIZ_API_DECL ostream& operator<<(ostream& os, const MZTolerance& mzt)
{
const char* units = (mzt.units==MZTolerance::MZ) ? "mz" : "ppm";
os << mzt.value << units;
return os;
}
PWIZ_API_DECL istream& operator>>(istream& is, MZTolerance& mzt)
{
string temp;
// in order to handle both '10ppm' and '10 ppm', this is easier than istream (which may or may not have skipws flag set)
getline(is, temp);
size_t endOfValue = temp.find_first_not_of("0123456789.-");
size_t startOfUnits = temp.find_first_not_of(" ", endOfValue);
mzt.value = lexical_cast<double>(temp.data(), endOfValue);
temp.erase(temp.begin(), temp.begin()+startOfUnits);
bal::to_lower(temp);
if (temp == "mz" || temp == "m/z" || bal::starts_with(temp, "da")) mzt.units = MZTolerance::MZ;
else if (temp == "ppm") mzt.units = MZTolerance::PPM;
else throw runtime_error("[MZTolerance::operator>>] Unable to parse units: " + temp);
return is;
}
PWIZ_API_DECL bool operator==(const MZTolerance& a, const MZTolerance& b)
{
return a.value==b.value && a.units==b.units;
}
PWIZ_API_DECL bool operator!=(const MZTolerance& a, const MZTolerance& b)
{
return a.value!=b.value || a.units!=b.units;
}
PWIZ_API_DECL double& operator+=(double& d, const MZTolerance& tolerance)
{
if (tolerance.units == MZTolerance::MZ)
d += tolerance.value;
else if (tolerance.units == MZTolerance::PPM)
d += fabs(d)*tolerance.value*1e-6;
else
throw runtime_error("[MZTolerance::operator+=] This isn't happening.");
return d;
}
PWIZ_API_DECL double& operator-=(double& d, const MZTolerance& tolerance)
{
if (tolerance.units == MZTolerance::MZ)
d -= tolerance.value;
else if (tolerance.units == MZTolerance::PPM)
d -= fabs(d)*tolerance.value*1e-6;
else
throw runtime_error("[MZTolerance::operator-=] This isn't happening.");
return d;
}
PWIZ_API_DECL double operator+(double d, const MZTolerance& tolerance)
{
d += tolerance;
return d;
}
PWIZ_API_DECL double operator-(double d, const MZTolerance& tolerance)
{
d -= tolerance;
return d;
}
PWIZ_API_DECL bool isWithinTolerance(double a, double b, const MZTolerance& tolerance)
{
return (a > b-tolerance) && (a < b+tolerance);
}
PWIZ_API_DECL bool lessThanTolerance(double a, double b, const MZTolerance& tolerance)
{
return (a < b-tolerance);
}
} // namespace chemistry
} // namespace pwiz
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