
    iI                        d dl mZ d dlZd dlmZ d dlmZ d dlZdZ	dZ
dZdZd	Zd
Zd%dZd&dZd'dZd(dZd)d#Zd*d$ZdS )+    )annotationsN)Path)Sequencei  i0  P      (   F   pathr   returnNonec                4    |                      dd           d S )NT)parentsexist_ok)mkdir)r
   s    0D:\ml\projects\myproj\tight binding\tb\export.py
ensure_dirr      s    JJtdJ+++++    	distances
np.ndarraybandsc                   |                      ddd          5 }t          j        |          }dgd t          |j        d                   D             z   }|                    |           t          t          |                    D ]2}|                    ||         dgd	 ||         D                        3	 d d d            d S # 1 swxY w Y   d S )
Nw utf-8newlineencodingdistancec                    g | ]}d | S )band_ ).0indexs     r   
<listcomp>z"write_band_csv.<locals>.<listcomp>   s     T T TU T T Tr      .8fc                    g | ]}|d S )r&   r!   )r"   values     r   r$   z"write_band_csv.<locals>.<listcomp>   s    =k=k=kQVnn=k=k=kr   )opencsvwriterrangeshapewriterowlen)r
   r   r   handler+   header	row_indexs          r   write_band_csvr3      s<   	3W	5	5 nF## T TeEKPQN>S>S T T TTs9~~.. 	n 	nIOO	) 4::l=k=kZ_`iZj=k=k=klmmmm	n	n n n n n n n n n n n n n n n n n ns   B!CCCenergiesdosc                "   |                      ddd          5 }t          j        |          }|                    ddg           t	          ||          D ] \  }}|                    |d|dg           !	 d d d            d S # 1 swxY w Y   d S )Nr   r   r   r   energyr5   r&   )r)   r*   r+   r.   zip)r
   r4   r5   r0   r+   r7   densitys          r   write_dos_csvr:      s    	3W	5	5 AF##5)***"8S11 	A 	AOFGOO__.>.>?@@@@	AA A A A A A A A A A A A A A A A A As   ABBBr(   float
domain_min
domain_max	range_min	range_maxc                J    ||k    rd||z   z  S | |z
  ||z
  z  }||||z
  z  z   S )Ng      ?r!   )r(   r<   r=   r>   r?   alphas         r   _scalerB   '   sF    Zi)+,,ZJ$;<Eu	I 5666r   titlestrtick_positionstick_labelsSequence[str]c                   t          |                                          }t          |                                          }t          |                                          }t          |                                          }	t          dd|	|k    r|	|z
  ndz            }
||
z  }|	|
z  }	t          }t          t
          z
  }t          }t          t          z
  }g d}g }t          |j
        d                   D ]}g }t          ||d d |f                   D ]a\  }}t          t          |          ||||          }t          t          |          ||	||          }|                    |dd|d           b||t          |          z           }|                    d| d	d
                    |           d           g }t          ||          D ]n\  }}t          t          |          ||||          }|                    d|dd| d|dd| d	           |                    d|ddt          dz
   d           og }t!          j        ddd          D ]g}|||	|z
  z  z   }t          |||	||          }|                    d| d|dd| d|dd	           |                    d|dz
   d|dz   dd           hd                    g dt           dt           dt           d
t           dt           dt           dt          d z  dd!| d"| d| d#||z
   d||z
   d$d                    |           d%d                    |           d%d                    |           d&t          d z  ddt          d'z
   d(t          d z  dd)t          d z  dd*          }|                     |d+,           d S )-Ng?g{Gz?      ?)z#1f77b4z#d62728z#2ca02cz#9467bdz#ff7f0er%   .2f,z<polyline fill="none" stroke="z" stroke-width="2" points=" z" />
<line x1="" y1="" x2="" y2="z&" stroke="#cccccc" stroke-width="1" />	<text x="" y="r   zV" text-anchor="middle" font-family="Consolas, monospace" font-size="16">{label}</text>           &" stroke="#efefef" stroke-width="1" />   W" text-anchor="end" font-family="Consolas, monospace" font-size="13">{value:.2f}</text>r   /<svg xmlns="http://www.w3.org/2000/svg" width="
" height="" viewBox="0 0 ">
<rect x="0" y="0" width="" fill="white" />
<text x="   O" y="24" text-anchor="middle" font-family="Consolas, monospace" font-size="20"></text>
<rect x="	" width="3" fill="none" stroke="black" stroke-width="1.5" />

z

<text x="   zf" text-anchor="middle" font-family="Consolas, monospace" font-size="16">k-path</text>
<text x="20" y="" transform="rotate(-90 20,z^)" text-anchor="middle" font-family="Consolas, monospace" font-size="16">Energy</text>
</svg>
r   r   )r;   minmaxLEFT_MARGIN	SVG_WIDTHRIGHT_MARGIN
TOP_MARGIN
SVG_HEIGHTBOTTOM_MARGINr,   r-   r8   rB   appendr/   joinnplinspace
write_text)r
   rC   r   r   rE   rF   x_minx_maxy_miny_maxpadding	plot_left
plot_rightplot_topplot_bottomcolorslines
band_indexpointsx_valuey_valuesvg_xsvg_ycolortickspositionlabely_ticksfractionr(   svgs                                  r   write_band_svgr   .   s    )--//""E)--//""E%))++E%))++E#tuu}}3GHHG	WE	WEI\)JH},KDDDFEEKN++ 	
 	

 #IuQQQ
]/C D D 	6 	6GW5>>5%JOOE5>>5%hOOEMMU4444445555zCKK/0eUeesxxX^O_O_eee	
 	
 	
 	
 E~{;; 	
 	
%uXuiLL3Z 3 3( 3 3%Z 3 3; 3 3 3	
 	
 	
 	NP N N
R N N N	
 	
 	
 	

 GKS!,, 

 

EEM22ueUKBB3 3 3%Z 3 3: 3 3UZ 3 3 3	
 	
 	
 	R	B R RUQYP R R R	
 	
 	
 	


 
 
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#
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/9
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a-
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lq
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 
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 #
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 .8)-C
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 P[]eOe
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 	
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 
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 
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C 	OOC'O*****r   c                ,   t          |                                          }t          |                                          }d}t          |                                          }t          |d          }t          }t          t
          z
  }	t          }
t          t          z
  }g }t          ||          D ]a\  }}t          t          |          ||||	          }t          t          |          ||||
          }|                    |dd|d           bg }t          j        ddd          D ]g}||||z
  z  z   }t          |||||
          }|                    d| d|dd	|	 d
|dd	           |                    d|dz
   d|dz   dd           hd                    g dt           dt           dt           dt           dt           dt           dt          dz  dd| d| d|
 d|	|z
   d||
z
   dd                    |           dd                    |           dt          dz  ddt          dz
   dt          dz  dd t          dz  dd!          }|                     |d"#           d S )$NrS   gư>rJ   rK   rI   rT   rM   rN   rO   rP   rU   rQ   rV   rR   rW   r   rX   rY   rZ   rL   r[   r\   r]   r^   r_   r`   ra   zA
<polyline fill="none" stroke="#1f77b4" stroke-width="2" points="z" />
<text x="rc   zf" text-anchor="middle" font-family="Consolas, monospace" font-size="16">Energy</text>
<text x="20" y="rd   z[)" text-anchor="middle" font-family="Consolas, monospace" font-size="16">DOS</text>
</svg>
r   re   )r;   rf   rg   rh   ri   rj   rk   rl   rm   r8   rB   rn   rp   rq   ro   rr   )r
   rC   r4   r5   rs   rt   ru   rv   rx   ry   rz   r{   r   r7   r9   r   r   r   r   r(   r   s                        r   write_dos_svgr   x   s2   (,,..!!E(,,..!!EE#''))EtEI\)JH},KFx-- 2 2uV}}eUIzJJuW~~ue[(KK000U0001111GKS!,, 

 

EEM22ueUKBB3 3 3%Z 3 3: 3 3UZ 3 3 3	
 	
 	
 	R	B R RUQYP R R R	
 	
 	
 	

	 	 	 	 	 	i 	 	 	 	S] 	 	 	 	nw 	 	 	 	  {E 	 	 	 	#	 	 	 	/9	 	 	 	
a-	 	 	 	 	lq	 	 	 	 	 	 	 	 #	 	 	 	 .8)-C	 	 	 	 P[]eOe	 	 	 	 		 	 	 	
 BE&AQAQ	 	 	 	 a-	 	 	 	 	 #-q.	 	 	 	 a	 	 	 	 	 AKQ	 	 	 	 	 	 	C 	OOC'O*****r   )r
   r   r   r   )r
   r   r   r   r   r   r   r   )r
   r   r4   r   r5   r   r   r   )r(   r;   r<   r;   r=   r;   r>   r;   r?   r;   r   r;   )r
   r   rC   rD   r   r   r   r   rE   r   rF   rG   r   r   )
r
   r   rC   rD   r4   r   r5   r   r   r   )
__future__r   r*   pathlibr   typingr   numpyrp   ri   rl   rh   rj   rk   rm   r   r3   r:   rB   r   r   r!   r   r   <module>r      s    " " " " " " 



                 	

, , , ,n n n nA A A A7 7 7 7G+ G+ G+ G+T)+ )+ )+ )+ )+ )+r   