This module helps to assign bond orders
This class includes the functions to assign bond orders
parameters | explanation |
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original_penalties | the original penalties dict |
max_stat | the max valence stats to iterate |
assign | the father Assignment instance |
total_charge | the total charge of the molecule |
extra_criteria | a function as the extra convergence criteria. The function will receive the assignment as input, and give True or False as output. |
This function is the main function to do the bond order assignment
return | True for success, False for failure |
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