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ans_molecule=$(reply$i)
test_empty=!line 1 of $(reply$i)
test_empty=$(test_empty[1;1])
!if $test_empty=$empty
test=NaN chemclick_empty_data
error=chemclick_empty_data
!exit
!endif
!set oef_answer_option$i=!replace internal $ $ by $\
$ in $(oef_answer_option$i)
!set oef_answer_option$i=!replace internal ; by $\
$ in $(oef_answer_option$i)
!set oef_answer_option$i=!nonempty lines $(oef_answer_option$i)
!set Inputsize=!line 1 of $(oef_answer_option$i)
!distribute items $Inputsize into xsize,ysize
!set oef_answer_option$i=!line 2 to -1 of $(oef_answer_option$i)
!set ans_image=!getopt image in $(replyoption$i)
!set ans_show_hydrogen=!getopt show_hydrogen in $oef_applet_option
!set ans_keep_hydrogen=!getopt keep_hydrogen in $oef_applet_option
!bound ans_show_hydrogen within yes, no default yes
!bound ans_keep_hydrogen within yes,no,hetero default yes
ans_list_feedback=!getopt feedback in $(replyoption$i)
ans_list_feedback=!words2items $ans_list_feedback
good_select=$(replygood$i[1;])
!for u_ in bonds, atoms
good_select=!replace internal $u_: by $\
$u_, in $good_select
!next
!set good_atoms_select=!select $good_select where column 1=atoms
!set good_atoms_select=!item 2 to -1 of $good_atoms_select
!set good_atoms_select=!nonempty items $good_atoms_select
!set good_bonds_select=!select $good_select where column 1=bonds
!set good_bonds_select=!item 2 to -1 of $good_bonds_select
!set good_bonds_select=!nonempty items $good_bonds_select
!distribute line $ans_molecule into ans_select
ans_molecule=!line 2 to -1 of $ans_molecule
!!set ans_atoms_select=$(ans_select[1;])
!!set ans_bonds_select=$(ans_select[2;])
!!! hack should modify the data to put data as a list of atoms
!set tmp=$(ans_select[;1,2,3])
!set ans_atoms_cnt=!rowcnt $tmp
!set ans_atoms_select=
!for se=1 to $ans_atoms_cnt
!if $(tmp[$se;1]) issametext unMarkAtom
!set ans_atoms_select=!listcomplement $(tmp[$se;2]) in $ans_atoms_select
!else
!if $(tmp[$se;1]) issametext MarkAtom
!set ans_atoms_select=!listuniq $(tmp[$se;2]),$ans_atoms_select
!else
!if $(tmp[$se;1]) issametext unMarkBond
!set ans_bonds_select=!listcomplement $(tmp[$se;3]) in $ans_bonds_select
!else
!if $(tmp[$se;1]) issametext MarkBond
!set ans_bonds_select=!listuniq $(tmp[$se;3]),$ans_bonds_select
!endif
!endif
!endif
!endif
!next
!!!!
!!!set ans_newtime=$(wims_nowseconds)_$i
!!!set replyfichier=r_$ans_newtime.mol
!!!readproc oef/togetfile.proc $replyfichier new\
!!$ans_molecule
!!!set replyfile=$wims_ref_name?session=$session&+cmd=getfile&+special_parm=$replyfichier
!if $wims_read_parm=nocompare
!goto end
!endif
:good
!set score_bonds=1
!set score_atoms=1
!if $good_atoms_select!=
ans_atoms_test1=!listcomplement $ans_atoms_select in $good_atoms_select
ans_atoms_test2=!listcomplement $good_atoms_select in $ans_atoms_select
ans_atoms_test3=!listintersect $good_atoms_select and $ans_atoms_select
ans_atoms_total=!nonempty items $ans_atoms_select,$good_atoms_select
ans_atoms_total=!listuniq $ans_atoms_total
ans_atoms_total=!sort numeric items $ans_atoms_total
!if $ans_atoms_test1= and $ans_atoms_test2=
score_atoms=1
!else
score_atoms=0
!endif
!else
ans_atoms_test2=$ans_atoms_select
ans_atoms_total=!sort numeric items $ans_atoms_test2
!if $ans_atoms_total notsametext
score_atoms=0
!endif
!endif
!if $good_bonds_select!=
ans_bonds_test1=!listcomplement $ans_bonds_select in $good_bonds_select
ans_bonds_test2=!listcomplement $good_bonds_select in $ans_bonds_select
ans_bonds_test3=!listintersect $good_bonds_select and $ans_bonds_select
ans_bonds_total=!nonempty items $ans_bonds_select,$good_bonds_select
ans_bonds_total=!listuniq $ans_bonds_total
ans_bonds_total=!sort numeric items $ans_bonds_total
!if $ans_bonds_test1= and $ans_bonds_test2=
score_bonds=1
!else
score_bonds=0
!endif
!else
ans_bonds_test2=$ans_bonds_select
ans_bonds_total=!sort numeric items $ans_bonds_test2
!if $ans_bonds_total notsametext
score_bonds=0
!endif
!endif
!if $score_bonds=1 and $score_atoms=1
diareply$i=good
!advance freegot
ans_image=
!else
diareply$i=bad
!endif
:end
!default xsize=320
!default ysize=240
!reset ans_atoms_colors
!read anstype/chemclickjsme.inc
reply_$i=$(rep$i)
reply__$i=
!reset m_reply$i
!if $ans_atoms_select!=$empty
m_reply$i=atoms:$ans_atoms_select
!endif
!if $ans_bonds_select!=$empty
m_reply$i=$(m_reply$i) bonds:$ans_bonds_select
!endif
replyGood$i=
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