/usr/include/libmstoolkit/RAWReader.h is in libmstoolkit-dev 82-6.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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Copyright 2005-2016, Michael R. Hoopmann
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 _RAWREADER_H
#define _RAWREADER_H
#ifdef _MSC_VER
#ifndef _NO_THERMORAW
#include "MSToolkitTypes.h"
#include "Spectrum.h"
#include <algorithm>
#include <iostream>
#include <vector>
#include <objbase.h>
#import "libid:F0C5F3E3-4F2A-443E-A74D-0AABE3237494" rename_namespace("XRawfile")
//#import "libid:5FE970A2-29C3-11D3-811D-00104B304896" rename_namespace("XRawfile")
using namespace XRawfile;
using namespace std;
namespace MSToolkit {
typedef struct rawPrecursorInfo{
double dIsoMZ;
double dMonoMZ;
long charge;
long parScanNum;
rawPrecursorInfo(){
dIsoMZ=0;
dMonoMZ=0;
charge=0;
parScanNum=0;
}
void clear(){
dIsoMZ = 0;
dMonoMZ = 0;
charge = 0;
parScanNum = 0;
}
} rawPrecursorInfo;
class RAWReader {
public:
//Constructors & Destructors
RAWReader();
~RAWReader();
//Public Functions
void getInstrument(char* str);
long getLastScanNumber();
void getManufacturer(char* str);
long getScanCount();
bool getStatus();
bool lookupRT(char* c, int scanNum, float& rt);
bool readRawFile(const char* c, Spectrum& s, int scNum=0);
void setAverageRaw(bool b, int width=1, long cutoff=1000);
void setLabel(bool b); //label data contains all centroids (including noise and excluded peaks)
void setMSLevelFilter(vector<MSSpectrumType>* v);
void setRawFilter(char* c);
void setRawFilterExact(bool b);
private:
//Data Members
bool bRaw;
bool rawAvg;
bool rawFileOpen;
bool rawLabel;
bool rawUserFilterExact;
char rawCurrentFile[256];
char rawInstrument[256];
char rawManufacturer[256];
char rawUserFilter[256];
int rawAvgWidth;
long rawAvgCutoff;
long rawCurSpec;
long rawTotSpec;
IXRawfilePtr m_Raw;
vector<MSSpectrumType>* msLevelFilter;
//Private Functions
int calcChargeState(double precursormz, double highmass, VARIANT* varMassList, long nArraySize);
double calcPepMass(int chargestate, double precursormz);
MSSpectrumType evaluateFilter(long scan, char* chFilter, vector<double>& MZs, bool& bCentroid, double& cv, MSActivation& act);
double evaluateTrailerDouble(const char* id);
int evaluateTrailerInt(const char* id);
bool initRaw();
};
}
#endif
#endif
#endif
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