ó
›™xTc           @   s'  d  d l  m Z d j ƒ  Z d j ƒ  j ƒ  Z d j ƒ  j ƒ  Z d Z d Z d Z	 d Z
 d	 Z d
 Z d Z i d d 6d d 6d d  6d d! 6d d" 6d d# 6Z d d g d d g d d g d d g g Z i d d 6Z d „  Z d „  Z d „  Z e e e e	 e
 e e e ƒ Z e d k r#e GHe GHn  d S($   iÿÿÿÿ(   t   divisions‰   ZN CA MG NA MN K FE CU CD HG NI CO SR CS PT BA TL PB SM AU RB YB LI
MO LU CR OS GD TB LA AG HO GA CE W RU RE PR IR EU AL V PD U
SB SE
TE
s    H D F Cl Br I At
He Ne Ar Kr Xe
s   Li Be B C N O Fgffffffþ?g333333@g×£p=
×ÿ?g      @g      @g      @g       @i   t   common_elementt   otheri   t   metali   t   common_amino_acidi   t   common_saccharidet   common_rna_dnai   t   common_watert   Oc         C   s   | d k rM |  j  j ƒ  j ƒ  t k r+ d S|  j  j ƒ  j ƒ  t k r{ d Sn. | d k r{ |  j  j ƒ  j ƒ  t k r{ d Sn  | S(   NR   R   t   ionR   (   R   (   s   other(   t   elementt   stript   uppert)   ad_hoc_single_metal_residue_element_typest   ad_hoc_non_linking_elements(   t   atomt
   atom_class(    (    sQ   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/monomer_library/linking_setup.pyt   adjust_class2   s    c         C   s2   | d k r. |  j  j ƒ  j ƒ  d k r. d Sn  | S(   NR   R   t   St   sulfur(   R   s   other(   R   (   R
   R   R   (   R   R   (    (    sQ   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/monomer_library/linking_setup.pyt   sulfur_class=   s    c   
      C   só   i |  d d 6| d d 6| d d 6| d d 6| d d 6| d d 6| d d 6| d d 6| d d 6| d d 6|  d d 6| d d 6|  | d 6|  | d 6| d d 6} xA d d d g D]0 } d | g }	 |	 j  ƒ  | d | t |	 ƒ <q» W| S(   Ni   R   R   R   R   R   R   R   R   t   common_small_molecule(   s   common_amino_acids   common_amino_acid(   s   common_amino_acids   other(   R   R   (   R   s   metal(   R   s   other(   s   common_amino_acidR   (   R   R   (   s   common_elementR   (   s   others   other(   s   sulfurs   sulfur(   s   common_amino_acidR   (   R   R   (   s   common_amino_acidR   (   s   otherR   (   s   metals   metal(   t   sortt   tuple(
   t   amino_acid_bond_cutofft   rna_dna_bond_cutofft   intra_residue_bond_cutofft   saccharide_bond_cutofft   metal_coordination_cutofft   sulfur_bond_cutofft   other_bond_cutofft   skip_if_longert   ct   key(    (    sQ   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/monomer_library/linking_setup.pyt   update_skip_if_longerC   s.    	
t   __main__N(   s   common_elements   other(   s   metals   other(   s   common_amino_acids   metal(   s   common_saccharides   metal(   s   common_rna_dnas   metal(   s   common_rna_dnas   common_rna_dna(   t
   __future__R    t   splitR   R   R   t   ad_hoc_first_rowR   R   R   R   R   R   R   t   maximum_inter_residue_linkst   skip_if_botht   simple_valenceR   R   R"   R   t   __name__(    (    (    sQ   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/monomer_library/linking_setup.pyt   <module>   sH   
			
			.	