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Module: graph bkchem/oasa/oasa/graph/graph.py

this module contains a graph class that provides a minimalistic graph implementation suitable for analysis of chemical problems

Imported modules   
import copy
from edge import edge
import operator
from sets import Set, ImmutableSet
import time
from types import *
from vertex import vertex
import warnings
Functions   
filter_off_dependent_cycles
filter_off_supercycles
get_first_closer_by_one
get_path_down_to
get_paths_down_to
is_ring_end_vertex
is_ring_start_vertex
is_there_a_ring_between
  filter_off_dependent_cycles 
filter_off_dependent_cycles ( cycles )

this filtres off all cycles that are combinations of two smaller cycles. I don't want to go deeper (3 cycles) - it would be really slow and ugly

  filter_off_supercycles 
filter_off_supercycles ( cycles )

filtres off all the bigger cycles which completely contain any of smaller cycles; these should be dependent

  get_first_closer_by_one 
get_first_closer_by_one ( v )

  get_path_down_to 
get_path_down_to ( end,  start )

  get_paths_down_to 
get_paths_down_to ( end,  start )

  is_ring_end_vertex 
is_ring_end_vertex ( v )

  is_ring_start_vertex 
is_ring_start_vertex ( v )

  is_there_a_ring_between 
is_there_a_ring_between ( start,  end )

Classes   

graph

provides a minimalistic graph implementation suitable for analysis of chemical problems,


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