UniDec
Universal Deconvolution of Mass and Ion Mobility Spectra
Classes | Functions | Variables
UniDec.unidec_modules.UniFit Namespace Reference

Classes

class  KDmodel
 
class  kdstruct
 

Functions

def safedivide (a, b)
 
def fixlists (list1, list2)
 
def sortarray (a)
 
def CompareModels (e1, e2, p1, p2, n, thresh)
 
def Ftest (e1, e2, p1, p2, n)
 
def findend (reactions, end)
 
def findpaths (reactions)
 
def GetError (data, pfree, lfree, ureact, prottab, ligtab, paths, kds, weights, nodelist, nfactors)
 
def MinFree (ptot, ltot, ureact, prottab, ligtab, paths, kds, pguess, lguess, nfactors)
 
def GetFree (pO, ptot, ltot, ureact, prottab, ligtab, paths, kds, nfactors)
 
def MakeGrid (pfree, lfree, ureact, prottab, ligtab, paths, kds, nfactors)
 
def draw_graph_structure
 
def draw_graph
 
def MinFreeError (kds, data, weights, kdargs)
 
def GetDegenKD (kds, kdargs)
 
def Minimize (data, kdargs, kwargs)
 
def BootMin (data, kdargs, weights)
 
def BootMinWorker (queue, results_queue)
 

Variables

string __author__ = 'Michael.Marty'
 
int switch = 3
 
string path = "C:\\cprog\\Tim\\raw"
 
string file_name = "man7.inp"
 
tuple data = np.loadtxt(file_name)
 
list pconc = data[0]
 
list lconc = data[1]
 
tuple header = string.split(file_name, ".")
 
int nprot = 1
 
int nlig = 4
 
int maxsites = 4
 
list nodelist = [[1, j] for j in xrange(0, nlig + 1)]
 
 dims = data.shape
 
tuple fit
 

Function Documentation

def UniDec.unidec_modules.UniFit.BootMin (   data,
  kdargs,
  weights 
)

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def UniDec.unidec_modules.UniFit.BootMinWorker (   queue,
  results_queue 
)

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def UniDec.unidec_modules.UniFit.CompareModels (   e1,
  e2,
  p1,
  p2,
  n,
  thresh 
)

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def UniDec.unidec_modules.UniFit.draw_graph (   graph1,
  graph2,
  kds,
  errors,
  kdmap,
  header,
  ax = None 
)

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def UniDec.unidec_modules.UniFit.draw_graph_structure (   graph1,
  graph2,
  kdmap,
  ax = None 
)
def UniDec.unidec_modules.UniFit.findend (   reactions,
  end 
)

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def UniDec.unidec_modules.UniFit.findpaths (   reactions)

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def UniDec.unidec_modules.UniFit.fixlists (   list1,
  list2 
)
def UniDec.unidec_modules.UniFit.Ftest (   e1,
  e2,
  p1,
  p2,
  n 
)
def UniDec.unidec_modules.UniFit.GetDegenKD (   kds,
  kdargs 
)

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def UniDec.unidec_modules.UniFit.GetError (   data,
  pfree,
  lfree,
  ureact,
  prottab,
  ligtab,
  paths,
  kds,
  weights,
  nodelist,
  nfactors 
)

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def UniDec.unidec_modules.UniFit.GetFree (   pO,
  ptot,
  ltot,
  ureact,
  prottab,
  ligtab,
  paths,
  kds,
  nfactors 
)

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def UniDec.unidec_modules.UniFit.MakeGrid (   pfree,
  lfree,
  ureact,
  prottab,
  ligtab,
  paths,
  kds,
  nfactors 
)

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def UniDec.unidec_modules.UniFit.MinFree (   ptot,
  ltot,
  ureact,
  prottab,
  ligtab,
  paths,
  kds,
  pguess,
  lguess,
  nfactors 
)

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def UniDec.unidec_modules.UniFit.MinFreeError (   kds,
  data,
  weights,
  kdargs 
)

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def UniDec.unidec_modules.UniFit.Minimize (   data,
  kdargs,
  kwargs 
)

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def UniDec.unidec_modules.UniFit.safedivide (   a,
  b 
)
def UniDec.unidec_modules.UniFit.sortarray (   a)

Variable Documentation

string UniDec.unidec_modules.UniFit.__author__ = 'Michael.Marty'
tuple UniDec.unidec_modules.UniFit.data = np.loadtxt(file_name)
UniDec.unidec_modules.UniFit.dims = data.shape
string UniDec.unidec_modules.UniFit.file_name = "man7.inp"
tuple UniDec.unidec_modules.UniFit.fit
Initial value:
1 = KDmodel(nprot, nlig, data, pconc, lconc, nodelist, header, prot="free", lig="parallel", bootnum=0,
2  maxsites=maxsites)
Definition: UniFit.py:369
tuple UniDec.unidec_modules.UniFit.header = string.split(file_name, ".")
list UniDec.unidec_modules.UniFit.lconc = data[1]
int UniDec.unidec_modules.UniFit.maxsites = 4
int UniDec.unidec_modules.UniFit.nlig = 4
list UniDec.unidec_modules.UniFit.nodelist = [[1, j] for j in xrange(0, nlig + 1)]
int UniDec.unidec_modules.UniFit.nprot = 1
string UniDec.unidec_modules.UniFit.path = "C:\\cprog\\Tim\\raw"
list UniDec.unidec_modules.UniFit.pconc = data[0]
int UniDec.unidec_modules.UniFit.switch = 3