Protool/energy.py
def VdWr(self,atom):
        """Get the Van der Waals radius of an atom"""
        if self.is_carbon(atom):
            return self.vdwr['C']
        elif self.is_nitrogen(atom):
            return self.vdwr['N']
        elif self.is_oxygen(atom):
            return self.vdwr['O']
        elif self.is_phosphor(atom):
            return self.vdwr['P']
        elif self.is_sulphur(atom):
            return self.vdwr['S']
        else:
            return None
Get the Van der Waals radius of an atom
Get the Van der Waals radius of an atom
Get the Van der Waals radius of an atom
def VdWr(self,atom):
        if self.is_carbon(atom):
            return self.vdwr['C']
        elif self.is_nitrogen(atom):
            return self.vdwr['N']
        elif self.is_oxygen(atom):
            return self.vdwr['O']
        elif self.is_phosphor(atom):
            return self.vdwr['P']
        elif self.is_sulphur(atom):
            return self.vdwr['S']
        else:
            return None
def VdWr ( self , atom ) : if self . is_carbon ( atom ) : return self . vdwr [ 'C' ] elif self . is_nitrogen ( atom ) : return self . vdwr [ 'N' ] elif self . is_oxygen ( atom ) : return self . vdwr [ 'O' ] elif self . is_phosphor ( atom ) : return self . vdwr [ 'P' ] elif self . is_sulphur ( atom ) : return self . vdwr [ 'S' ] else : return None
Get the Van der Waals radius of an atom
Get the Van der Waals radius of an atom
"""Get the Van der Waals radius of an atom"""
self
atom