libpappsomspp
Library for mass spectrometry
File List
Here is a list of all files with brief descriptions:
[detail level
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▼
pappsomspp
►
amino_acid
aa.cpp
aa.h
aabase.cpp
aabase.h
Private amino acid model
aamodification.cpp
aamodification.h
Amino acid modification model
atomnumberinterface.h
►
exception
exceptionnotfound.h
exceptionnotimplemented.h
exceptionnotpossible.h
exceptionnotrecognized.h
Excetion to use when an item type is not recognized (file format, object type...)
exceptionoutofrange.h
►
fasta
fastafileindexer.cpp
Quick random access to sequences in a fasta file using an index
fastafileindexer.h
Quick random access to sequences in a fasta file using an index
fastahandlerinterface.h
fastaoutputstream.cpp
fastaoutputstream.h
fastareader.cpp
fastareader.h
fastawriterinterface.h
►
grouping
grpexperiment.cpp
grpexperiment.h
grpgroup.cpp
grpgroup.h
grpgroupingmonitor.cpp
grpgroupingmonitor.h
grpmappeptidetogroup.cpp
grpmappeptidetogroup.h
grpmappeptidetosubgroupset.cpp
grpmappeptidetosubgroupset.h
grppeptide.cpp
grppeptide.h
grppeptideset.cpp
grppeptideset.h
grpprotein.cpp
grpprotein.h
grpsubgroup.cpp
grpsubgroup.h
grpsubgroupset.cpp
grpsubgroupset.h
►
massspectrum
massspectrum.cpp
Basic mass spectrum
massspectrum.h
Basic mass spectrum
massspectrumid.cpp
massspectrumid.h
qualifiedmassspectrum.cpp
qualifiedmassspectrum.h
►
msfile
msfileaccessor.cpp
msfileaccessor.h
msfilereader.cpp
msfilereader.h
pwizmsfilereader.cpp
pwizmsfilereader.h
timsmsfilereader.cpp
MSrun file reader for native Bruker TimsTOF raw data
timsmsfilereader.h
MSrun file reader for native Bruker TimsTOF raw data
xymsfilereader.cpp
xymsfilereader.h
►
msrun
►
alignment
msrunalignment.cpp
msrunalignment.h
msrunretentiontime.cpp
msrunretentiontime.h
template.cpp
►
output
mgfoutput.cpp
mgfoutput.h
Write msrun peaks into MGF output stream
mzxmloutput.cpp
Write msrun peaks into mzxml output stream
mzxmloutput.h
Write msrun peaks into mzxml output stream
►
private
pwizmsrunreader.cpp
MSrun file reader base on proteowizard library
pwizmsrunreader.h
MSrun file reader base on proteowizard library
timsmsrunreader.cpp
timsmsrunreader.h
MSrun file reader for native Bruker TimsTOF raw data
timsmsrunreaderms2.cpp
MSrun file reader for native Bruker TimsTOF specialized for MS2 purpose
timsmsrunreaderms2.h
MSrun file reader for native Bruker TimsTOF specialized for MS2 purpose
timsmsrunreaderms2selected.cpp
timsmsrunreaderms2selected.h
msrundatasettree.cpp
msrundatasettree.h
msrundatasettreenode.cpp
msrundatasettreenode.h
msrundatasettreevisitor.h
msrunid.cpp
msrunid.h
msrunreader.cpp
Base interface to read MSrun files
msrunreader.h
Base interface to read MSrun files
xymsrunreader.cpp
xymsrunreader.h
►
obo
filterobopsimodsink.cpp
filterobopsimodsink.h
filterobopsimodtermaccession.cpp
filterobopsimodtermaccession.h
filterobopsimodtermdiffmono.cpp
filterobopsimodtermdiffmono.h
filterobopsimodtermlabel.cpp
filterobopsimodtermlabel.h
filterobopsimodtermname.cpp
filterobopsimodtermname.h
obopsimod.cpp
obopsimod.h
►
peptide
ion.cpp
Ion interface
ion.h
Ion interface
peptide.cpp
Peptide model
peptide.h
Peptide model
peptidefragment.cpp
peptidefragment.h
Peptide fragment model
peptidefragmention.cpp
Peptide ion model
peptidefragmention.h
Peptide ion model
peptidefragmentionlistbase.cpp
Fragmentation base object
peptidefragmentionlistbase.h
Fragmentation base object
peptideinterface.cpp
peptideinterface.h
peptidenaturalisotope.cpp
Peptide natural isotope model
peptidenaturalisotope.h
Peptide natural isotope model
peptidenaturalisotopeaverage.cpp
peptidenaturalisotopeaverage.h
peptidenaturalisotopelist.cpp
Peptide natural isotope model
peptidenaturalisotopelist.h
Peptide natural isotope model
peptiderawfragmentmasses.cpp
Class dedicated to raw mass computations of peptide products (fragments)
peptiderawfragmentmasses.h
Class dedicated to raw mass computations of peptide products (fragments)
peptidestrparser.cpp
peptidestrparser.h
►
processing
►
combiners
massdatacombinerinterface.cpp
massdatacombinerinterface.h
massspectrumcombiner.cpp
massspectrumcombiner.h
massspectrumcombinerfactory.cpp
massspectrumcombinerfactory.h
massspectrumminuscombiner.cpp
massspectrumminuscombiner.h
massspectrumpluscombiner.cpp
massspectrumpluscombiner.h
mzintegrationparams.cpp
mzintegrationparams.h
tracecombiner.cpp
tracecombiner.h
traceminuscombiner.cpp
traceminuscombiner.h
tracepluscombiner.cpp
tracepluscombiner.h
►
detection
tracedetectioninterface.h
tracedetectionmoulon.cpp
tracedetectionmoulon.h
tracedetectionzivy.cpp
tracedetectionzivy.h
tracepeak.cpp
tracepeak.h
►
filters
►
pwiz
►
ms
peakpickerqtof.hpp
simplepicker.hpp
►
resample
convert2dense.hpp
filterchargedeconvolution.cpp
filterchargedeconvolution.h
Sum peaks and transform mz to fit charge = 1
filtercomplementionenhancer.cpp
Enhance ion intensity of ion fragment complement
filtercomplementionenhancer.h
Enhance ion intensity of ion fragment complement
filterinterface.h
filterlocalmaximum.cpp
filterlocalmaximum.h
filtermorpho.cpp
filtermorpho.h
filternameinterface.cpp
filternameinterface.h
filterpass.cpp
filterpass.h
filterpseudocentroid.cpp
filterpseudocentroid.h
filterremovec13.cpp
filterremovec13.h
Sum peaks under a triangle base
filterresample.cpp
filterresample.h
filtersuite.cpp
filtersuite.h
filtersuitestring.cpp
filtersuitestring.h
filtertandemremovec13.cpp
filtertandemremovec13.h
filtertriangle.cpp
filtertriangle.h
savgolfilter.cpp
savgolfilter.h
►
tandemwrapper
tandemwrapperrun.cpp
Actually does really run tandem directly on Bruker's data
tandemwrapperrun.h
Actually does really run tandem directly on Bruker's data
xtandeminputsaxhandler.cpp
Rewrites tandem xml input file with temporary files
xtandeminputsaxhandler.h
Rewrites tandem xml input file with temporary files
xtandemoutputsaxhandler.cpp
Rewrites tandem xml input file with temporary files
xtandemoutputsaxhandler.h
Rewrites tandem xml output file with temporary files
xtandempresetsaxhandler.cpp
Read tandem preset file to get centroid parameters and number of threads
xtandempresetsaxhandler.h
Read tandem preset file to get centroid parameters and number of threads
►
protein
enzyme.cpp
enzyme.h
enzymeproductinterface.h
peptidebuilder.cpp
peptidebuilder.h
peptidefixedmodificationbuilder.cpp
peptidefixedmodificationbuilder.h
peptidemethioninremove.cpp
peptidemethioninremove.h
peptidemodificatorbase.cpp
peptidemodificatorbase.h
Base class for all peptide modification builders
peptidemodificatorpipeline.cpp
peptidemodificatorpipeline.h
peptidemodificatortee.cpp
peptidemodificatortee.h
peptidesemienzyme.cpp
peptidesemienzyme.h
peptidesizefilter.cpp
peptidesizefilter.h
peptidevariablemodificationbuilder.cpp
peptidevariablemodificationbuilder.h
peptidevariablemodificationreplacement.cpp
peptidevariablemodificationreplacement.h
Potential replacement of a modification by an other
protein.cpp
Object to handle a protein
protein.h
Object to handle a protein
proteinpeptidelist.cpp
proteinpeptidelist.h
Object to handle a peptide list linked to one protein
►
psm
►
experimental
ionisotoperatioscore.cpp
Psm score computed using ion isotopes
ionisotoperatioscore.h
Psm score computed using ion isotopes
►
morpheus
morpheusscore.cpp
morpheusscore.h
►
xtandem
xtandemhyperscore.cpp
Process spectrum to compute X!Tandem hyperscore
xtandemhyperscore.h
Computation of the X!Tandem hyperscore
xtandemhyperscorebis.cpp
Computation of the X!Tandem hyperscore
xtandemhyperscorebis.h
Computation of the X!Tandem hyperscore
xtandemspectrumprocess.cpp
xtandemspectrumprocess.h
peakionisotopematch.cpp
peakionisotopematch.h
peakionmatch.cpp
Associate a peak and a peptide + charge
peakionmatch.h
Associate a peak and a peptide + charge
peptideisotopespectrummatch.cpp
peptideisotopespectrummatch.h
peptidespectrummatch.cpp
Find peaks matching between ions and spectrum
peptidespectrummatch.h
Find peaks matching between ions and spectrum
►
trace
datapoint.cpp
datapoint.h
linearregression.cpp
Compute linear regression
linearregression.h
maptrace.cpp
maptrace.h
trace.cpp
trace.h
►
vendors
►
tims
►
mzcalibration
mzcalibrationinterface.cpp
Handles different ways to compute m/z using calibration parameters
mzcalibrationinterface.h
Handles different ways to compute m/z using calibration parameters
mzcalibrationmodel1.cpp
Implement Bruker's model type 1 formula to compute m/z
mzcalibrationmodel1.h
Implement Bruker's model type 1 formula to compute m/z
mzcalibrationstore.cpp
mzcalibrationstore.h
►
xicextractor
timsdirectxicextractor.cpp
Minimum functions to extract XICs from Tims Data
timsdirectxicextractor.h
Minimum functions to extract XICs from Tims Data
timsxic.cpp
timsxic.h
timsxicextractorinterface.cpp
Minimum functions to extract XICs from Tims Data
timsxicextractorinterface.h
Minimum functions to extract XICs from Tims Data
timsbindec.cpp
timsbindec.h
Binary file handler of Bruker's TimsTof raw data
timsdata.cpp
Main Tims data handler
timsdata.h
Main Tims data handler
timsframe.cpp
Handle a single Bruker's TimsTof frame
timsframe.h
Handle a single Bruker's TimsTof frame
timsframebase.cpp
Handle a single Bruker's TimsTof frame without binary data
timsframebase.h
Handle a single Bruker's TimsTof frame without binary data
timsms2centroidfilter.cpp
Special process for tims MS2 spectrum (centroid like)
timsms2centroidfilter.h
Special process for tims MS2 spectrum (centroid like)
►
widget
►
massspectrumwidget
massspectrumwidget.cpp
massspectrumwidget.h
qcpspectrum.cpp
qcpspectrum.h
►
plotwidget
basecolormapplotwidget.cpp
basecolormapplotwidget.h
baseplotwidget.cpp
baseplotwidget.h
basetraceplotwidget.cpp
basetraceplotwidget.h
colormapplotconfig.cpp
colormapplotconfig.h
driftspecmassspeccolormapplotwidget.cpp
driftspecmassspeccolormapplotwidget.h
driftspectraceplotwidget.cpp
driftspectraceplotwidget.h
massspectraceplotwidget.cpp
massspectraceplotwidget.h
ticxicchromdriftspeccolormapplotwidget.cpp
ticxicchromdriftspeccolormapplotwidget.h
ticxicchrommassspeccolormapplotwidget.cpp
ticxicchrommassspeccolormapplotwidget.h
ticxicchromtraceplotwidget.cpp
ticxicchromtraceplotwidget.h
►
precisionwidget
precisionwidget.cpp
precisionwidget.h
►
xicwidget
qcpxic.cpp
Custom plot XIC
qcpxic.h
Custom plot XIC
xicwidget.cpp
xicwidget.h
Plot a XIC
graphicdevicewidget.cpp
Common graphic functions
graphicdevicewidget.h
Common graphic functions
►
xic
qualifiedxic.cpp
qualifiedxic.h
xic.cpp
xic.h
xicpeptidefragmention.cpp
xicpeptidefragmention.h
xicpeptidefragmentionnaturalisotope.cpp
xicpeptidefragmentionnaturalisotope.h
xicpeptideinterface.cpp
xicpeptideinterface.h
►
xicextractor
►
private
msrunslice.cpp
One mz slice (1 dalton) of an MsRun
msrunslice.h
One mz slice (1 dalton) of an MsRun
msrunxicextractor.cpp
msrunxicextractor.h
msrunxicextractordisk.cpp
Proteowizard based XIC extractor featuring disk cache
msrunxicextractordisk.h
MsRunReader based XIC extractor featuring disk cache
msrunxicextractordiskbuffer.cpp
Proteowizard based XIC extractor featuring disk cache + write buffer
msrunxicextractordiskbuffer.h
Proteowizard based XIC extractor featuring disk cache + write buffer
msrunxicextractorfactory.cpp
Factory to build XIC extractor on an MsRun file
msrunxicextractorfactory.h
Factory to build XIC extractor on an MsRun file
msrunxicextractorinterface.cpp
msrunxicextractorinterface.h
config.h
exportinmportconfig.h
mzrange.cpp
mzrange.h
pappsoexception.h
precision.cpp
precision.h
types.h
This header contains all the type re-definitions and all the global variables definitions used in the PAPPSOms++ library
utils.cpp
utils.h
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