Copernicus  2.0
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cpc.lib.msm.msmproject.MSMProject Class Reference
Inheritance diagram for cpc.lib.msm.msmproject.MSMProject:

Public Member Functions

def getNewSimTime
 
def createMicroStates
 
def createMacroStates
 

Public Attributes

 inp
 
 out
 
 num_micro
 
 num_macro
 
 ref_conf
 
 grpname
 
 lag_time
 
 ndx
 
 Proj
 
 assignments
 
 T
 
 max_time
 Calculate only times up to at maximum half the length of an individual trajectory. More...
 
 num_to_start
 
 avgtime
 
 filelist
 
 trajData
 
 tprfile
 
 newRuns
 
 macroConfs
 

Static Public Attributes

string elementName = ""
 

Detailed Description

MSM specific project data 

Member Function Documentation

def cpc.lib.msm.msmproject.MSMProject.createMacroStates (   self)
Build a macro-state MSM 
def cpc.lib.msm.msmproject.MSMProject.createMicroStates (   self)
Build a micro-state MSM 
def cpc.lib.msm.msmproject.MSMProject.getNewSimTime (   self)
Compute a new simulation time from a half-normal distribution 

Member Data Documentation

cpc.lib.msm.msmproject.MSMProject.assignments
cpc.lib.msm.msmproject.MSMProject.avgtime
string cpc.lib.msm.msmproject.MSMProject.elementName = ""
static
cpc.lib.msm.msmproject.MSMProject.filelist
cpc.lib.msm.msmproject.MSMProject.grpname
cpc.lib.msm.msmproject.MSMProject.inp
cpc.lib.msm.msmproject.MSMProject.lag_time
cpc.lib.msm.msmproject.MSMProject.macroConfs
cpc.lib.msm.msmproject.MSMProject.max_time

Calculate only times up to at maximum half the length of an individual trajectory.

SP this is almost certainly wrong: if max_time > 1: max_time=int(max_time) else: max_time=2 max_time = 300 # hard-coded for villin

cpc.lib.msm.msmproject.MSMProject.ndx
cpc.lib.msm.msmproject.MSMProject.newRuns
cpc.lib.msm.msmproject.MSMProject.num_macro
cpc.lib.msm.msmproject.MSMProject.num_micro
cpc.lib.msm.msmproject.MSMProject.num_to_start
cpc.lib.msm.msmproject.MSMProject.out
cpc.lib.msm.msmproject.MSMProject.Proj
cpc.lib.msm.msmproject.MSMProject.ref_conf
cpc.lib.msm.msmproject.MSMProject.T
cpc.lib.msm.msmproject.MSMProject.tprfile
cpc.lib.msm.msmproject.MSMProject.trajData

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