35 #ifndef OPENMS_KERNEL_RANGEUTILS_H
36 #define OPENMS_KERNEL_RANGEUTILS_H
95 template <
class MetaContainer>
97 std::unary_function<MetaContainer, bool>
131 template <
class SpectrumType>
133 std::unary_function<SpectrumType, bool>
144 InRTRange(
double min,
double max,
bool reverse =
false) :
152 double tmp = s.getRT();
169 template <
class SpectrumType>
171 std::unary_function<SpectrumType, bool>
188 Int tmp = s.getMSLevel();
205 template <
class SpectrumType>
207 std::unary_function<SpectrumType, bool>
225 return reverse_ ^ (s.getInstrumentSettings().getScanMode() ==
mode_);
240 template <
class SpectrumType>
242 std::unary_function<SpectrumType, bool>
276 template <
class SpectrumType>
278 std::unary_function<SpectrumType, bool>
307 template <
class SpectrumType>
309 std::unary_function<SpectrumType, bool>
325 return reverse_ ^ s.getInstrumentSettings().getZoomScan();
341 template <
class SpectrumType>
343 std::unary_function<SpectrumType, bool>
360 for (std::vector<Precursor>::const_iterator it = s.getPrecursors().begin(); it != s.getPrecursors().end(); ++it)
362 for (std::set<Precursor::ActivationMethod>::const_iterator it_a = it->getActivationMethods().begin();
363 it_a != it->getActivationMethods().end();
393 template <
class SpectrumType>
395 std::unary_function<SpectrumType, bool>
413 for (std::vector<Precursor>::const_iterator it = s.getPrecursors().begin(); it != s.getPrecursors().end(); ++it)
416 if (!(mz_left_ <= it->getMZ() && it->getMZ() <=
mz_right_))
442 template <
class SpectrumType>
444 std::unary_function<SpectrumType, bool>
462 for (std::vector<Precursor>::const_iterator it = s.getPrecursors().begin(); it != s.getPrecursors().end(); ++it)
464 Int tmp = it->getCharge();
487 template <
class PeakType>
489 std::unary_function<PeakType, bool>
500 InMzRange(
double min,
double max,
bool reverse =
false) :
525 template <
class PeakType>
527 std::unary_function<PeakType, bool>
562 template <
class SpectrumType>
564 std::unary_function<SpectrumType, bool>
583 if (s.getMSLevel() == 1)
return false;
586 bool hasCollisionEnergy =
false;
587 for (std::vector<Precursor>::const_iterator it = s.getPrecursors().begin(); it != s.getPrecursors().end(); ++it)
589 if (it->metaValueExists(
"collision energy"))
591 hasCollisionEnergy =
true;
592 double cE = it->getMetaValue(
"collision energy");
598 if (!hasCollisionEnergy)
return false;
615 template <
class SpectrumType>
617 std::unary_function<SpectrumType, bool>
637 if (s.getMSLevel() == 1)
return false;
640 for (std::vector<Precursor>::const_iterator it = s.getPrecursors().begin(); it != s.getPrecursors().end(); ++it)
642 const double isolationWindowSize = it->getIsolationWindowUpperOffset() + it->getIsolationWindowLowerOffset();
657 #endif // OPENMS_KERNEL_RANGEUTILS_H
IsInIsolationWindowSizeRange(double min_size, double max_size, bool reverse=false)
Constructor.
Definition: RangeUtils.h:628
IntList levels_
Definition: RangeUtils.h:194
Predicate that determines if a spectrum lies inside/outside a specific retention time range...
Definition: RangeUtils.h:132
double min_
Definition: RangeUtils.h:514
PositionType const & getPosition() const
Non-mutable access to the position.
Definition: Peak2D.h:173
bool reverse_
Definition: RangeUtils.h:606
InMSLevelRange(const IntList &levels, bool reverse=false)
Constructor.
Definition: RangeUtils.h:181
bool reverse_
Definition: RangeUtils.h:297
A more convenient string class.
Definition: String.h:57
A 2-dimensional raw data point or peak.
Definition: Peak2D.h:55
HasScanPolarity(Int polarity, bool reverse=false)
Constructor.
Definition: RangeUtils.h:252
double max_size_
Definition: RangeUtils.h:651
IntensityType getIntensity() const
Definition: Peak2D.h:161
IsInCollisionEnergyRange(double min, double max, bool reverse=false)
Constructor.
Definition: RangeUtils.h:574
Predicate that determines if a spectrum has a certain scan mode.
Definition: RangeUtils.h:206
bool operator()(const SpectrumType &s) const
Definition: RangeUtils.h:358
bool reverse_
Definition: RangeUtils.h:381
bool operator()(const SpectrumType &s) const
Definition: RangeUtils.h:411
bool reverse_
Definition: RangeUtils.h:230
bool reverse_
Definition: RangeUtils.h:652
std::vector< Int > IntList
Vector of signed integers.
Definition: ListUtils.h:59
double min_energy_
Definition: RangeUtils.h:605
bool operator()(const PeakType &p) const
Definition: RangeUtils.h:543
double max_energy_
Definition: RangeUtils.h:605
bool operator()(const PeakType &p) const
Definition: RangeUtils.h:506
bool operator()(const SpectrumType &s) const
Definition: RangeUtils.h:634
static const std::string NamesOfActivationMethod[SIZE_OF_ACTIVATIONMETHOD]
Names of activation methods.
Definition: Precursor.h:82
InMzRange(double min, double max, bool reverse=false)
Constructor.
Definition: RangeUtils.h:500
bool operator()(const SpectrumType &s) const
Definition: RangeUtils.h:290
bool reverse_
Definition: RangeUtils.h:430
InRTRange(double min, double max, bool reverse=false)
Constructor.
Definition: RangeUtils.h:144
HasScanMode(Int mode, bool reverse=false)
Constructor.
Definition: RangeUtils.h:217
bool operator()(const SpectrumType &s) const
Definition: RangeUtils.h:150
IsZoomSpectrum(bool reverse=false)
Constructor.
Definition: RangeUtils.h:318
Predicate that determines if a spectrum lies inside/outside a specific MS level set.
Definition: RangeUtils.h:170
double min_size_
Definition: RangeUtils.h:651
IsEmptySpectrum(bool reverse=false)
Constructor.
Definition: RangeUtils.h:286
bool reverse_
Definition: RangeUtils.h:159
double min_
Definition: RangeUtils.h:551
double max_
Definition: RangeUtils.h:514
double max_
Definition: RangeUtils.h:551
Predicate that determines if a spectrum has a certain precursor charge as given in the constructor li...
Definition: RangeUtils.h:443
bool reverse_
Definition: RangeUtils.h:265
bool reverse_
Definition: RangeUtils.h:329
Predicate that determines if a peak lies inside/outside a specific intensity range.
Definition: RangeUtils.h:526
bool operator()(const SpectrumType &s) const
Definition: RangeUtils.h:222
InPrecursorMZRange(const double &mz_left, const double &mz_right, bool reverse=false)
Constructor.
Definition: RangeUtils.h:405
bool reverse_
Definition: RangeUtils.h:195
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:74
bool operator()(const SpectrumType &s) const
Definition: RangeUtils.h:459
bool operator()(const SpectrumType &s) const
Definition: RangeUtils.h:257
Predicate that determines if a spectrum has a certain scan polarity.
Definition: RangeUtils.h:241
Int mode_
Definition: RangeUtils.h:229
bool reverse_
Definition: RangeUtils.h:552
double mz_right_
Definition: RangeUtils.h:429
IntList charges_
Definition: RangeUtils.h:473
StringList methods_
Definition: RangeUtils.h:380
double max_
Definition: RangeUtils.h:158
bool operator()(const SpectrumType &s) const
Definition: RangeUtils.h:322
InIntensityRange(double min, double max, bool reverse=false)
Constructor.
Definition: RangeUtils.h:537
HasActivationMethod(const StringList &methods, bool reverse=false)
Constructor.
Definition: RangeUtils.h:353
Predicate that determines if the width of the isolation window of an MSn spectrum is in the given ran...
Definition: RangeUtils.h:616
bool reverse_
Definition: RangeUtils.h:474
HasPrecursorCharge(const IntList &charges, bool reverse=false)
Constructor.
Definition: RangeUtils.h:454
Predicate that determines if a peak lies inside/outside a specific m/z range.
Definition: RangeUtils.h:488
Predicate that determines if a spectrum's precursor is within a certain m/z range.
Definition: RangeUtils.h:394
bool operator()(const SpectrumType &s) const
Definition: RangeUtils.h:580
bool reverse_
Definition: RangeUtils.h:515
Predicate that determines if a spectrum is a zoom (enhanced resolution) spectrum. ...
Definition: RangeUtils.h:308
static bool contains(const std::vector< T > &container, const E &elem)
Checks whether the element elem is contained in the given container.
Definition: ListUtils.h:150
double mz_left_
Definition: RangeUtils.h:428
bool operator()(const SpectrumType &s) const
Definition: RangeUtils.h:186
int Int
Signed integer type.
Definition: Types.h:96
double min_
Definition: RangeUtils.h:158
Predicate that determines if a spectrum was generated using any activation method given in the constr...
Definition: RangeUtils.h:342
Predicate that determines if an MSn spectrum was generated with a collision energy in the given range...
Definition: RangeUtils.h:563
Predicate that determines if a spectrum is empty.
Definition: RangeUtils.h:277
Int polarity_
Definition: RangeUtils.h:264