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pyparticles

import numpy as np
import sys
import scipy.spatial.distance as dist

import pyparticles.forces.force as fr

class VanDerWaals( fr.Force ) :
    def __init__(self , size , dim=3 , m=None , Consts=1.0 ):
        
        self.__dim = dim
        self.__size = size
        
        self.__C = Consts # Hamaker coefficient (A)
                
        self.__A = np.zeros( ( size , dim ) )
        self.__F = np.zeros( ( size , dim ) )
        self.__Fm = np.zeros( ( size , size ) )
        
        self.__R = np.zeros( ( size , 1 ) )
        if m != None :
            self.set_messes( m )
        
    
    def set_masses( self , m ):
        self.__R[:] = m
        
    
    def update_force( self , p_set ):
        
        self.__D[:] = dist.squareform( dist.pdist( p_set.X , 'euclidean' ) )
        
        return self.__A
    
    def getA(self):
        return self.__A
    
    A = property( getA )


    def getF(self):
        return self.__F
    
    F = property( getF )
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