OpenMS
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Mathematical and physical constants namespace. More...
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Mathematical constants. | |
const double | PI = 3.14159265358979323846 |
PI. More... | |
const double | E = 2.718281828459045235 |
Euler's number - base of the natural logarithm. More... | |
double | EPSILON = 1e-6 |
Chemical/physical constants. | |
const double | ELEMENTARY_CHARGE = 1.60217738E-19 |
const double | e0 = ELEMENTARY_CHARGE |
Elementary charge (alias) More... | |
const double | ELECTRON_MASS = 9.1093897E-31 |
const double | ELECTRON_MASS_U = 1.0 / 1822.8885020477 |
const double | PROTON_MASS = 1.6726230E-27 |
const double | PROTON_MASS_U = 1.0072764667710 |
const double | C13C12_MASSDIFF_U = 1.0033548378 |
const double | ISOTOPE_MASSDIFF_55K_U = 1.002371 |
const double | NEUTRON_MASS = 1.6749286E-27 |
const double | NEUTRON_MASS_U = 1.00866491566 |
const double | AVOGADRO = 6.0221367E+23 |
const double | NA = AVOGADRO |
const double | MOL = AVOGADRO |
const double | BOLTZMANN = 1.380657E-23 |
const double | k = BOLTZMANN |
const double | PLANCK = 6.6260754E-34 |
const double | h = PLANCK |
const double | GAS_CONSTANT = NA * k |
const double | R = GAS_CONSTANT |
const double | FARADAY = NA * e0 |
const double | F = FARADAY |
const double | BOHR_RADIUS = 5.29177249E-11 |
const double | a0 = BOHR_RADIUS |
const double | VACUUM_PERMITTIVITY = 8.85419E-12 |
const double | VACUUM_PERMEABILITY = (4 * PI * 1E-7) |
const double | SPEED_OF_LIGHT = 2.99792458E+8 |
const double | c = SPEED_OF_LIGHT |
const double | GRAVITATIONAL_CONSTANT = 6.67259E-11 |
const double | FINE_STRUCTURE_CONSTANT = 7.29735E-3 |
Conversion factors | |
const double | DEG_PER_RAD = 57.2957795130823209 |
const double | RAD_PER_DEG = 0.0174532925199432957 |
const double | MM_PER_INCH = 25.4 |
const double | M_PER_FOOT = 3.048 |
const double | JOULE_PER_CAL = 4.184 |
const double | CAL_PER_JOULE = (1 / 4.184) |
Mathematical and physical constants namespace.
This namespace contains definitions for some basic mathematical and physical constants. All constants are double precision.
There are basically two ways of accessing these constants:
double my_pi = OpenMS::Constants::PI
using directive
: using namespace OpenMS::Constants;
double my_pi = PI;
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Bohr radius (alias)
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Avogadro constant. In units of \(mol^{-1}\) ( \(6.0221367 \cdot 10^{23} mol^{-1}\)).
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Bohr radius. In units m ( \(5.29177249 \cdot 10^{-11}\) m).
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Boltzmann constant. In units of J/K ( \(1.380657 \cdot 10^{-23}\) J/K).
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Speed of Light (alias)
Referenced by OpenMS::ChromatogramExtractor::extract_id_< OpenMS::TargetedExperiment >(), GridBasedClustering< Metric >::cluster(), SignalToNoiseEstimatorMeanIterative< Container >::computeSTN_(), SignalToNoiseEstimatorMedian< Container >::computeSTN_(), ListUtils::create(), OpenMS::StringUtils::fillLeft(), OpenMS::StringUtils::fillRight(), OpenMS::Math::gcd(), Precursor::getUnchargedMass(), SignalToNoiseEstimator< Container >::init(), OpenMS::StringUtils::removeWhitespaces(), IDConflictResolverAlgorithm::resolveConflict_(), DIntervalBase< D >::setMaxX(), DIntervalBase< D >::setMaxY(), DIntervalBase< D >::setMinX(), DIntervalBase< D >::setMinY(), DPosition< D, TCoordinateType >::setX(), DPosition< D, TCoordinateType >::setY(), and OpenMS::StringConversions::toString().
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C13C12 mass difference. In units ( \(1.0033548\)u)
Referenced by MSExperiment::ContainerAdd_< ContainerValueType, true >::addData_(), NucleicAcidSearchEngine::calculatePrecursorMass_(), and NucleicAcidSearchEngine::deisotopeAndSingleChargeMSSpectrum_().
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Calories per Joule. 1/JOULE_PER_CAL
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Degree per rad. 57.2957795130823209
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Euler's number - base of the natural logarithm.
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Elementary charge (alias)
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Electron mass. In units of kg ( \(9.1093897 \cdot 10^{-31}\) kg).
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Electron mass In units ( \(1,822.88850204(77)^{-1}\)u).
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Elementary charge. In units of C ( \(1.60217738 \cdot 10^{-19} C\)).
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Internal threshold for equality comparisons. Default value is 1e-6.
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Faraday constant (alias)
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Fine structure constant. Without unit ( \(7.29735 \cdot 10^{-3}\)).
Gas constant (= NA * k)
Referenced by AAIndex::calculateGB().
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Gravitational constant. In units of \(Nm^2kg^{-2}\) ( \(6.67259 \cdot 10^{-11} Nm^2kg^{-2}\)).
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Average mass difference between consecutive isotopes for proteins of mass 55kDa. Referred to the values used in TopPIC. In units ( \(1.002371\)u)
Referenced by SpectraMerger::areMassesMatched().
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Joules per calorie. 4.184
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Boltzmann constant (alias)
Referenced by TOPPViewBase::addDataFile(), EmgScoring::calcElutionFitScore(), MRMTransitionGroupPicker::computeQuality_(), OpenSwathHelper::computeTransitionGroupId(), ChromatogramExtractor::extractChromatograms(), TOPPFLASHDeconv::main_(), TOPPOpenSwathBase::performCalibration(), PeakPickerIterative::pick(), MRMTransitionGroupPicker::pickApex(), MRMTransitionGroupPicker::pickFragmentChromatograms(), MRMTransitionGroupPicker::pickPrecursorChromatograms(), PeakPickerIterative::pickRecenterPeaks_(), MRMTransitionGroupPicker::pickTransitionGroup(), RANSAC< TModelType >::ransac(), MRMTransitionGroupPicker::recalculatePeakBorders_(), MRMTransitionGroupPicker::remove_overlapping_features(), DistanceMatrix< Value >::resize(), TOPPViewBase::showCurrentPeaksAsDIA(), and PeakIntegrator::simpson_().
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m per foot. 3.048
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mm per inch. 25.4
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Avogadro constant (alias)
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Avogadro constant (alias)
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Neutron mass. In units of kg ( \(1.6749286 \cdot 10^{-27}\) kg).
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Neutron mass. In units ( \(1.0086649156(6)\)u)
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PI.
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Planck constant. In units of Js ( \(6.6260754 \cdot 10^{-34}\) Js).
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Proton mass. In units of kg ( \(1.6726230 \cdot 10^{-27}\) kg).
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Proton mass. In units ( \(1.00727646677(10)\)u)
Referenced by SpectraMerger::areMassesMatched(), NucleicAcidSearchEngine::calculatePrecursorMass_(), NucleicAcidSearchEngine::deisotopeAndSingleChargeMSSpectrum_(), Precursor::getUnchargedMass(), and DTAFile::load().
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Gas constant (alias)
Referenced by AAIndex::calculateGB(), and KDTree< __K, _Val, _Acc, _Dist, _Cmp, _Alloc >::visit_within_range().
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Rad per degree. 0.0174532925199432957
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Speed of light. In units of m/s ( \(2.99792458 \cdot 10^8 ms^{-1}\)).
Vacuum permeability. In units of \(Js^2C^{-2}m^{-1}\) ( \(4\pi \cdot 10^{-7} Js^2C^{-2}m^{-1}\)).
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Vacuum permittivity. In units of \(C^2J^{-1}m^{-1}\) ( \(8.85419 \cdot 10^{-12} C^2J^{-1}m^{-1}\)).