IMSElement#

class pyopenms.IMSElement#

Bases: object

Cython implementation of _IMSElement

Documentation is available at http://www.openms.de/current_doxygen/html/classOpenMS::ims::IMSElement_1_1IMSElement.html

__init__()#

  • Cython signature: void IMSElement() Represents a chemical atom with name and isotope distribution

  • Cython signature: void IMSElement(IMSElement &)

  • Cython signature: void IMSElement(libcpp_string & name, IMSIsotopeDistribution & isotopes)

  • Cython signature: void IMSElement(libcpp_string & name, double mass)

  • Cython signature: void IMSElement(libcpp_string & name, unsigned int nominal_mass)

Methods

__init__

  • Cython signature: void IMSElement()

getAverageMass

Cython signature: double getAverageMass() Gets element's average mass

getIonMass

Cython signature: double getIonMass(int electrons_number) Gets ion mass of element.

getIsotopeDistribution

Cython signature: IMSIsotopeDistribution getIsotopeDistribution() Gets element's isotope distribution

getMass

Cython signature: double getMass(int index) Gets mass of element's isotope 'index'

getName

Cython signature: libcpp_string getName() Gets element's name

getNominalMass

Cython signature: unsigned int getNominalMass() Gets element's nominal mass

getSequence

Cython signature: libcpp_string getSequence() Gets element's sequence

setIsotopeDistribution

Cython signature: void setIsotopeDistribution(IMSIsotopeDistribution & isotopes) Sets element's isotope distribution

setName

Cython signature: void setName(libcpp_string & name) Sets element's name

setSequence

Cython signature: void setSequence(libcpp_string & sequence) Sets element's sequence
getAverageMass()#

Cython signature: double getAverageMass() Gets element’s average mass

getIonMass()#

Cython signature: double getIonMass(int electrons_number) Gets ion mass of element. By default ion lacks 1 electron, but this can be changed by setting other ‘electrons_number’

getIsotopeDistribution()#

Cython signature: IMSIsotopeDistribution getIsotopeDistribution() Gets element’s isotope distribution

getMass()#

Cython signature: double getMass(int index) Gets mass of element’s isotope ‘index’

getName()#

Cython signature: libcpp_string getName() Gets element’s name

getNominalMass()#

Cython signature: unsigned int getNominalMass() Gets element’s nominal mass

getSequence()#

Cython signature: libcpp_string getSequence() Gets element’s sequence

setIsotopeDistribution()#

Cython signature: void setIsotopeDistribution(IMSIsotopeDistribution & isotopes) Sets element’s isotope distribution

setName()#

Cython signature: void setName(libcpp_string & name) Sets element’s name

setSequence()#

Cython signature: void setSequence(libcpp_string & sequence) Sets element’s sequence