OpenMS
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Public Member Functions | |
TOPPFLASHDeconv () | |
Public Member Functions inherited from TOPPBase | |
TOPPBase ()=delete | |
No default constructor. More... | |
TOPPBase (const TOPPBase &)=delete | |
No default copy constructor. More... | |
TOPPBase (const String &name, const String &description, bool official=true, const std::vector< Citation > &citations={}, bool toolhandler_test=true) | |
Constructor. More... | |
virtual | ~TOPPBase () |
Destructor. More... | |
ExitCodes | main (int argc, const char **argv) |
Main routine of all TOPP applications. More... | |
String | getToolPrefix () const |
Returns the prefix used to identify the tool. More... | |
String | getDocumentationURL () const |
Returns a link to the documentation of the tool (accessible on our servers and only after inclusion in the nightly branch or a release). More... | |
Protected Member Functions | |
void | registerOptionsAndFlags_ () override |
Sets the valid command line options (with argument) and flags (without argument). More... | |
ExitCodes | main_ (int, const char **) override |
The actual "main" method. main_() is invoked by main(). More... | |
Protected Member Functions inherited from TOPPBase | |
String | getParamArgument_ (const Param::ParamEntry &entry) const |
Utility function that determines a suitable argument value for the given Param::ParamEntry. More... | |
std::vector< ParameterInformation > | paramToParameterInformation_ (const Param ¶m) const |
Translates the given parameter object into a vector of ParameterInformation, that can be utilized for cl parsing. More... | |
ParameterInformation | paramEntryToParameterInformation_ (const Param::ParamEntry &entry, const String &argument="", const String &full_name="") const |
Transforms a ParamEntry object to command line parameter (ParameterInformation). More... | |
void | registerParamSubsectionsAsTOPPSubsections_ (const Param ¶m) |
void | registerFullParam_ (const Param ¶m) |
Register command line parameters for all entries in a Param object. More... | |
void | registerStringOption_ (const String &name, const String &argument, const String &default_value, const String &description, bool required=true, bool advanced=false) |
Registers a string option. More... | |
void | setValidStrings_ (const String &name, const std::vector< String > &strings) |
Sets the valid strings for a string option or a whole string list. More... | |
void | setValidStrings_ (const String &name, const std::string vstrings[], int count) |
Sets the valid strings for a string option or a whole string list. More... | |
void | registerInputFile_ (const String &name, const String &argument, const String &default_value, const String &description, bool required=true, bool advanced=false, const StringList &tags=StringList()) |
Registers an input file option. More... | |
void | registerOutputFile_ (const String &name, const String &argument, const String &default_value, const String &description, bool required=true, bool advanced=false) |
Registers an output file option. More... | |
void | registerOutputPrefix_ (const String &name, const String &argument, const String &default_value, const String &description, bool required=true, bool advanced=false) |
Registers an output file prefix used for tools with multiple file output. More... | |
void | setValidFormats_ (const String &name, const std::vector< String > &formats, const bool force_OpenMS_format=true) |
Sets the formats for a input/output file option or for all members of an input/output file lists. More... | |
void | registerDoubleOption_ (const String &name, const String &argument, double default_value, const String &description, bool required=true, bool advanced=false) |
Registers a double option. More... | |
void | setMinInt_ (const String &name, Int min) |
Sets the minimum value for the integer parameter(can be a list of integers,too) name . More... | |
void | setMaxInt_ (const String &name, Int max) |
Sets the maximum value for the integer parameter(can be a list of integers,too) name . More... | |
void | setMinFloat_ (const String &name, double min) |
Sets the minimum value for the floating point parameter(can be a list of floating points,too) name . More... | |
void | setMaxFloat_ (const String &name, double max) |
Sets the maximum value for the floating point parameter(can be a list of floating points,too) name . More... | |
void | registerIntOption_ (const String &name, const String &argument, Int default_value, const String &description, bool required=true, bool advanced=false) |
Registers an integer option. More... | |
void | registerIntList_ (const String &name, const String &argument, const IntList &default_value, const String &description, bool required=true, bool advanced=false) |
Registers a list of integers option. More... | |
void | registerDoubleList_ (const String &name, const String &argument, const DoubleList &default_value, const String &description, bool required=true, bool advanced=false) |
Registers a list of doubles option. More... | |
void | registerStringList_ (const String &name, const String &argument, const StringList &default_value, const String &description, bool required=true, bool advanced=false) |
Registers a list of strings option. More... | |
void | registerInputFileList_ (const String &name, const String &argument, const StringList &default_value, const String &description, bool required=true, bool advanced=false, const StringList &tags=StringList()) |
Registers a list of input files option. More... | |
void | registerOutputFileList_ (const String &name, const String &argument, const StringList &default_value, const String &description, bool required=true, bool advanced=false) |
Registers a list of output files option. More... | |
void | registerFlag_ (const String &name, const String &description, bool advanced=false) |
Registers a flag. More... | |
void | registerSubsection_ (const String &name, const String &description) |
Registers an allowed subsection in the INI file (usually from OpenMS algorithms). More... | |
void | registerTOPPSubsection_ (const String &name, const String &description) |
Registers an allowed subsection in the INI file originating from the TOPP tool itself. More... | |
void | addEmptyLine_ () |
Adds an empty line between registered variables in the documentation. More... | |
String | getStringOption_ (const String &name) const |
Returns the value of a previously registered string option. More... | |
double | getDoubleOption_ (const String &name) const |
Returns the value of a previously registered double option. More... | |
Int | getIntOption_ (const String &name) const |
Returns the value of a previously registered integer option. More... | |
StringList | getStringList_ (const String &name) const |
Returns the value of a previously registered StringList. More... | |
IntList | getIntList_ (const String &name) const |
Returns the value of a previously registered IntList. More... | |
DoubleList | getDoubleList_ (const String &name) const |
Returns the value of a previously registered DoubleList. More... | |
bool | getFlag_ (const String &name) const |
Returns the value of a previously registered flag. More... | |
const ParameterInformation & | findEntry_ (const String &name) const |
Finds the entry in the parameters_ array that has the name name . More... | |
Param const & | getParam_ () const |
Return all parameters relevant to this TOPP tool. More... | |
void | checkParam_ (const Param ¶m, const String &filename, const String &location) const |
Checks top-level entries of param according to the information during registration. More... | |
void | fileParamValidityCheck_ (const StringList ¶m_value, const String ¶m_name, const ParameterInformation &p) const |
checks if files of an input file list exist More... | |
void | fileParamValidityCheck_ (String ¶m_value, const String ¶m_name, const ParameterInformation &p) const |
checks if an input file exists (respecting the flags) More... | |
void | checkIfIniParametersAreApplicable_ (const Param &ini_params) |
Checks if the parameters of the provided ini file are applicable to this tool. More... | |
void | printUsage_ () |
Prints the tool-specific command line options and appends the common options. More... | |
void | writeLogInfo_ (const String &text) const |
Writes a string to the log file and to OPENMS_LOG_INFO. More... | |
void | writeLogWarn_ (const String &text) const |
Writes a string to the log file and to OPENMS_LOG_WARN. More... | |
void | writeLogError_ (const String &text) const |
Writes a string to the log file and to OPENMS_LOG_ERROR. More... | |
void | writeDebug_ (const String &text, UInt min_level) const |
Writes a string to the log file and to OPENMS_LOG_DEBUG if the debug level is at least min_level . More... | |
void | writeDebug_ (const String &text, const Param ¶m, UInt min_level) const |
Writes a String followed by a Param to the log file and to OPENMS_LOG_DEBUG if the debug level is at least min_level . More... | |
ExitCodes | runExternalProcess_ (const QString &executable, const QStringList &arguments, const QString &workdir="") const |
Runs an external process via ExternalProcess and prints its stderr output on failure or if debug_level > 4. More... | |
ExitCodes | runExternalProcess_ (const QString &executable, const QStringList &arguments, String &proc_stdout, String &proc_stderr, const QString &workdir="") const |
const String & | getIniLocation_ () const |
Returns the location of the ini file where parameters are taken from. E.g. if the command line was TOPPTool -instance 17 , then this will be "TOPPTool:17:" . Note the ':' at the end. More... | |
const String & | toolName_ () const |
Returns the tool name. More... | |
void | inputFileReadable_ (const String &filename, const String ¶m_name) const |
Checks if an input file exists, is readable and is not empty. More... | |
void | outputFileWritable_ (const String &filename, const String ¶m_name) const |
Checks if an output file is writable. More... | |
bool | parseRange_ (const String &text, double &low, double &high) const |
Parses a range string ([a]:[b]) into two variables (doubles) More... | |
bool | parseRange_ (const String &text, Int &low, Int &high) const |
Parses a range string ([a]:[b]) into two variables (integers) More... | |
void | addDataProcessing_ (ConsensusMap &map, const DataProcessing &dp) const |
Data processing setter for consensus maps. More... | |
void | addDataProcessing_ (FeatureMap &map, const DataProcessing &dp) const |
Data processing setter for feature maps. More... | |
void | addDataProcessing_ (PeakMap &map, const DataProcessing &dp) const |
Data processing setter for peak maps. More... | |
DataProcessing | getProcessingInfo_ (DataProcessing::ProcessingAction action) const |
Returns the data processing information. More... | |
DataProcessing | getProcessingInfo_ (const std::set< DataProcessing::ProcessingAction > &actions) const |
Returns the data processing information. More... | |
template<typename Writer > | |
void | writeToolDescription_ (Writer &writer, std::string write_type, std::string fileExtension) |
Helper function avoiding repeated code between CTD, JSON and CWL. More... | |
Static Protected Member Functions | |
static void | filterLowPeaks (MSExperiment &map, Size count) |
Additional Inherited Members | |
Public Types inherited from TOPPBase | |
enum | ExitCodes { EXECUTION_OK , INPUT_FILE_NOT_FOUND , INPUT_FILE_NOT_READABLE , INPUT_FILE_CORRUPT , INPUT_FILE_EMPTY , CANNOT_WRITE_OUTPUT_FILE , ILLEGAL_PARAMETERS , MISSING_PARAMETERS , UNKNOWN_ERROR , EXTERNAL_PROGRAM_ERROR , PARSE_ERROR , INCOMPATIBLE_INPUT_DATA , INTERNAL_ERROR , UNEXPECTED_RESULT } |
Exit codes. More... | |
Static Public Member Functions inherited from TOPPBase | |
static void | setMaxNumberOfThreads (int num_threads) |
Sets the maximal number of usable threads. More... | |
Protected Attributes inherited from TOPPBase | |
String | version_ |
Version string (if empty, the OpenMS/TOPP version is printed) More... | |
String | verboseVersion_ |
Version string including additional revision/date time information. Note: This differs from version_ only if not provided by the user. More... | |
bool | official_ |
Flag indicating if this an official TOPP tool. More... | |
std::vector< Citation > | citations_ |
Papers, specific for this tool (will be shown in '–help') More... | |
bool | toolhandler_test_ |
Enable the ToolHandler tests. More... | |
ProgressLogger::LogType | log_type_ |
Type of progress logging. More... | |
bool | test_mode_ |
Test mode. More... | |
Int | debug_level_ |
Debug level set by -debug. More... | |
Static Protected Attributes inherited from TOPPBase | |
static String | topp_ini_file_ |
.TOPP.ini file for storing system default parameters More... | |
static const Citation | cite_openms_ |
The OpenMS citation. More... | |
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inline |
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inlinestaticprotected |
References SpectrumSettings::CENTROID, and OpenMS::Math::round().
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inlineoverrideprotectedvirtual |
The actual "main" method. main_() is invoked by main().
Implements TOPPBase.
References SpectraMerger::average(), MSExperiment::begin(), Param::copy(), MSExperiment::end(), ProgressLogger::endProgress(), SpectrumLookup::extractScanNumber(), FLASHDeconvHelperStructs::getChargeMass(), FLASHDeconvAlgorithm::getDeconvolvedSpectrum(), DefaultParamHandler::getDefaults(), FileHandler::getOptions(), ExperimentalSettings::getSourceFiles(), Param::getValue(), OpenMS::Constants::k, FileHandler::loadExperiment(), SpectraMerger::mergeSpectraBlockWise(), FileTypes::MZML, ProgressLogger::nextProgress(), OPENMS_LOG_INFO, FLASHDeconvAlgorithm::performSpectrumDeconvolution(), PeakGroup::push_back(), DeconvolvedSpectrum::push_back(), PeakGroup::Qscore(), OpenMS::StringUtils::remove(), DeconvolvedSpectrum::reserve(), FLASHDeconvAlgorithm::setAveragine(), Precursor::setCharge(), PeakGroup::setChargeSNR(), PeakFileOptions::setIntensityRange(), ProgressLogger::setLogType(), PeakGroup::setMonoisotopicMass(), Peak1D::setMZ(), PeakFileOptions::setMZRange(), FileHandler::setOptions(), DeconvolvedSpectrum::setOriginalSpectrum(), DefaultParamHandler::setParameters(), PeakFileOptions::setRTRange(), PeakGroup::setSNR(), FLASHDeconvAlgorithm::setTargetDummyType(), Param::setValue(), DeconvolvedSpectrum::size(), MSExperiment::size(), DeconvolvedSpectrum::sort(), MSExperiment::sortSpectra(), ProgressLogger::startProgress(), FileHandler::storeExperiment(), Qvalue::updatePeakGroupQvalues(), FLASHDeconvSpectrumFile::writeDeconvolvedMasses(), FLASHDeconvSpectrumFile::writeDeconvolvedMassesHeader(), FLASHDeconvFeatureFile::writeFeatures(), FLASHDeconvFeatureFile::writeHeader(), FLASHDeconvFeatureFile::writePromexFeatures(), FLASHDeconvFeatureFile::writePromexHeader(), FLASHDeconvSpectrumFile::writeTopFD(), FLASHDeconvFeatureFile::writeTopFDFeatureHeader(), and FLASHDeconvFeatureFile::writeTopFDFeatures().
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inlineoverrideprotectedvirtual |
Sets the valid command line options (with argument) and flags (without argument).
The options '-ini' '-log' '-instance' '-debug' and the flag '–help' are automatically registered.
Implements TOPPBase.
References Param::addTag(), DefaultParamHandler::getDefaults(), Param::getValue(), Param::insert(), Param::remove(), and Param::setValue().