libpappsomspp
Library for mass spectrometry
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pappso::PrecisionFactory Class Reference

#include <precision.h>

Static Public Member Functions

static PrecisionPtr fromString (const QString &str)
 get a precision pointer from a string
static PrecisionPtr getDaltonInstance (pappso_double value)
 get a Dalton precision pointer
static PrecisionPtr getPpmInstance (pappso_double value)
 get a ppm precision pointer
static PrecisionPtr getResInstance (pappso_double value)
 get a resolution precision pointer
static PrecisionPtr getPrecisionPtrFractionInstance (PrecisionPtr origin, double fraction)
 get the fraction of an existing precision pointer
static PrecisionPtr getPrecisionPtrInstance (Enums::PrecisionUnit unit, double value)
 get a precision pointer instance

Private Types

using MapDaltonPrecision = std::map<pappso_double, DaltonPrecision *>
using MapPpmPrecision = std::map<pappso_double, PpmPrecision *>
using MapResPrecision = std::map<pappso_double, ResPrecision *>

Static Private Attributes

static MapDaltonPrecision m_mapDalton
static MapPpmPrecision m_mapPpm
static MapResPrecision m_mapRes

Detailed Description

Definition at line 126 of file precision.h.

Member Typedef Documentation

◆ MapDaltonPrecision

Definition at line 128 of file precision.h.

◆ MapPpmPrecision

Definition at line 129 of file precision.h.

◆ MapResPrecision

Definition at line 130 of file precision.h.

Member Function Documentation

◆ fromString()

PrecisionPtr pappso::PrecisionFactory::fromString ( const QString & str)
static

get a precision pointer from a string

Parameters
stris of the form : "nominal_value unit", example : "0.02 dalton"

Definition at line 80 of file precision.cpp.

81{
82
83 // The format of the string is <number><space *><string> with string either
84 // "ppm" or "dalton" or "res".
85 //
86 // If there only once component, that is, <string> is omitted and charge is
87 // not provided, then "dalton" is considered.
88
89 QStringList list = str.split(QRegularExpression("\\s+"), Qt::SkipEmptyParts);
90
91 if(list.size() > 0)
92 {
93 bool ok;
94 pappso_double value = list[0].toDouble(&ok);
95 if(!ok)
96 {
97 throw ExceptionNotPossible(QObject::tr("ERROR getting precision from string :\nunable to "
98 "convert %1 to number in %2")
99 .arg(value)
100 .arg(str));
101 }
102 if(list.size() == 1)
103 {
105 }
106 else if(list.size() == 2)
107 {
108 if(list[1].toLower() == "dalton")
109 {
111 }
112
113 if(list[1].toLower() == "ppm")
114 {
116 }
117
118 if(list[1].toLower() == "res")
119 {
121 }
122
123 throw ExceptionNotPossible(QObject::tr("ERROR getting precision from string :\nprecision "
124 "unit %1 to not known in %2")
125 .arg(list[1])
126 .arg(str));
127 }
128 }
129
130 throw ExceptionNotPossible(QObject::tr("ERROR getting precision from string "
131 ":\nunable to convert %1 to precision")
132 .arg(str));
133}
static PrecisionPtr getResInstance(pappso_double value)
get a resolution precision pointer
static PrecisionPtr getPpmInstance(pappso_double value)
get a ppm precision pointer
static PrecisionPtr getDaltonInstance(pappso_double value)
get a Dalton precision pointer
double pappso_double
A type definition for doubles.
Definition types.h:60

References getDaltonInstance(), getPpmInstance(), and getResInstance().

Referenced by pappso::FilterChargeDeconvolution::buildFilterFromString(), pappso::FilterComplementIonEnhancer::buildFilterFromString(), pappso::FilterMzExclusion::buildFilterFromString(), and pappso::MzIntegrationParams::initialize().

◆ getDaltonInstance()

PrecisionPtr pappso::PrecisionFactory::getDaltonInstance ( pappso_double value)
static

get a Dalton precision pointer

Parameters
valuethe precision value in dalton

Definition at line 136 of file precision.cpp.

137{
138 MapDaltonPrecision::iterator it = m_mapDalton.find(value);
139 if(it == m_mapDalton.end())
140 {
141 // not found
142 std::pair<MapDaltonPrecision::iterator, bool> insert_res = m_mapDalton.insert(
143 std::pair<pappso_double, DaltonPrecision *>(value, new DaltonPrecision(value)));
144 it = insert_res.first;
145 }
146 else
147 {
148 // found
149 }
150 return it->second;
151}
static MapDaltonPrecision m_mapDalton
Definition precision.h:133

References m_mapDalton.

Referenced by pappso::PrecisionWidget::PrecisionWidget(), pappso::cbor::psm::PsmFeatures::PsmFeatures(), pappso::cbor::psm::PsmSpecGlob::PsmSpecGlob(), fromString(), pappso::AaModification::getInstanceXtandemMod(), getPrecisionPtrInstance(), pappso::masschroq::QuantificationMethod::getXicExtractionMeanPrecisionPtr(), pappso::Utils::guessAaModificationPbyMonoisotopicMassDelta(), pappso::XtandemSpectrumProcess::process(), pappso::PrecisionWidget::setDaltonValueChanged(), and pappso::masschroq::QuantificationMethod::setJsonObject().

◆ getPpmInstance()

PrecisionPtr pappso::PrecisionFactory::getPpmInstance ( pappso_double value)
static

get a ppm precision pointer

Parameters
valuethe precision value in ppm

Definition at line 155 of file precision.cpp.

156{
157 if(!value)
158 throw ExceptionNotPossible(
159 QObject::tr("Fatal error at precision.cpp "
160 "-- ERROR trying to set a Resolution precision value of 0. "
161 "Program aborted."));
162
163 MapPpmPrecision::iterator it = m_mapPpm.find(value);
164
165 if(it == m_mapPpm.end())
166 {
167 // Not found.
168 std::pair<MapPpmPrecision::iterator, bool> insert_res =
169 m_mapPpm.insert(std::pair<pappso_double, PpmPrecision *>(value, new PpmPrecision(value)));
170 it = insert_res.first;
171 }
172 else
173 {
174 // found
175 }
176 return it->second;
177}
static MapPpmPrecision m_mapPpm
Definition precision.h:134

References m_mapPpm.

Referenced by pappso::MzIntegrationParams::MzIntegrationParams(), pappso::PrecisionWidget::PrecisionWidget(), pappso::cbor::psm::PsmSpecGlob::PsmSpecGlob(), pappso::masschroq::QuantificationMethod::QuantificationMethod(), pappso::MassSpectrum::equals(), fromString(), getPrecisionPtrInstance(), pappso::masschroq::QuantificationMethod::getXicExtractionMeanPrecisionPtr(), pappso::masschroq::QuantificationMethod::setJsonObject(), pappso::PrecisionWidget::setPpmValueChanged(), and pappso::masschroq::PrecursorParser::setQualifiedMassSpectrum().

◆ getPrecisionPtrFractionInstance()

PrecisionPtr pappso::PrecisionFactory::getPrecisionPtrFractionInstance ( PrecisionPtr origin,
double fraction )
static

get the fraction of an existing precision pointer

Parameters
originthe original precision pointer
fractionthe fraction to apply on the original precision

Definition at line 209 of file precision.cpp.

210{
211 Enums::PrecisionUnit unit = origin->unit();
212 double value = origin->getNominal() * fraction;
213
214
215 return getPrecisionPtrInstance(unit, value);
216}
static PrecisionPtr getPrecisionPtrInstance(Enums::PrecisionUnit unit, double value)
get a precision pointer instance

References pappso::PrecisionBase::getNominal(), getPrecisionPtrInstance(), and pappso::PrecisionBase::unit().

Referenced by pappso::FilterChargeDeconvolution::FilterChargeDeconvolution(), and pappso::FilterChargeDeconvolution::buildFilterFromString().

◆ getPrecisionPtrInstance()

PrecisionPtr pappso::PrecisionFactory::getPrecisionPtrInstance ( Enums::PrecisionUnit unit,
double value )
static

get a precision pointer instance

Parameters
unitthe precision unit
valuethe precision value

Definition at line 219 of file precision.cpp.

220{
221
222 switch(unit)
223 {
225 return getDaltonInstance(value);
227 return getPpmInstance(value);
229 return getResInstance(value);
231 return getDaltonInstance(value);
233 throw ExceptionNotPossible(QObject::tr("Unknown precision unit"));
234
235 default:
236 throw ExceptionNotPossible(QObject::tr("Unknown precision unit"));
237 break;
238 }
239
240 return nullptr;
241}

References pappso::Enums::dalton, getDaltonInstance(), getPpmInstance(), getResInstance(), pappso::Enums::mz, pappso::Enums::none, pappso::Enums::ppm, and pappso::Enums::res.

Referenced by pappso::XtandemPresetReader::getMs2FiltersOptions(), and getPrecisionPtrFractionInstance().

◆ getResInstance()

PrecisionPtr pappso::PrecisionFactory::getResInstance ( pappso_double value)
static

get a resolution precision pointer

Parameters
valuethe precision value in resolution

Definition at line 181 of file precision.cpp.

182{
183 // qDebug() << "Requested a Resolution precision instance for value:" <<
184 // value;
185
186 if(!value)
187 throw ExceptionNotPossible(
188 QObject::tr("Fatal error at precision.cpp "
189 "-- ERROR trying to set a Resolution precision value of 0. "
190 "Program aborted."));
191
192 MapResPrecision::iterator it = m_mapRes.find(value);
193
194 if(it == m_mapRes.end())
195 {
196 // not found
197 std::pair<MapResPrecision::iterator, bool> insert_res =
198 m_mapRes.insert(std::pair<pappso_double, ResPrecision *>(value, new ResPrecision(value)));
199 it = insert_res.first;
200 }
201 else
202 {
203 // found
204 }
205 return it->second;
206}
static MapResPrecision m_mapRes
Definition precision.h:135

References m_mapRes.

Referenced by pappso::PrecisionWidget::PrecisionWidget(), fromString(), getPrecisionPtrInstance(), pappso::MzIntegrationParams::reset(), pappso::MzIntegrationParams::setBinSizeModel(), and pappso::PrecisionWidget::setResValueChanged().

Member Data Documentation

◆ m_mapDalton

PrecisionFactory::MapDaltonPrecision pappso::PrecisionFactory::m_mapDalton
staticprivate
Initial value:
= [] {
return ret;
}()
std::map< pappso_double, DaltonPrecision * > MapDaltonPrecision
Definition precision.h:128

Definition at line 133 of file precision.h.

Referenced by getDaltonInstance().

◆ m_mapPpm

PrecisionFactory::MapPpmPrecision pappso::PrecisionFactory::m_mapPpm
staticprivate
Initial value:
= [] {
return ret;
}()
std::map< pappso_double, PpmPrecision * > MapPpmPrecision
Definition precision.h:129

Definition at line 134 of file precision.h.

Referenced by getPpmInstance().

◆ m_mapRes

PrecisionFactory::MapResPrecision pappso::PrecisionFactory::m_mapRes
staticprivate
Initial value:
= [] {
return ret;
}()
std::map< pappso_double, ResPrecision * > MapResPrecision
Definition precision.h:130

Definition at line 135 of file precision.h.

Referenced by getResInstance().


The documentation for this class was generated from the following files: