diff options
Diffstat (limited to 'Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf')
| -rw-r--r-- | Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf | 205 |
1 files changed, 173 insertions, 32 deletions
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf index b01dff4de55..ff1cb14b3d0 100644 --- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf +++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% mcf2graph ver 4.70 Copyright (c) 2013-2021 Akira Yamaji +% mcf2graph ver 4.71 Copyright (c) 2013-2021 Akira Yamaji % % Permission is hereby granted, free of charge, to any person obtaining a copy of this software % and associated documentation files (the "Software"), to deal in the Software without restriction, @@ -37,7 +37,7 @@ % Set to use plain.mp (label,arrow,atom) : mpost -s labeloffset=2 FILENAME %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% tracingstats:=1; -message "* This is mcf2graph ver 4.70 2021.08.01"; +message "* This is mcf2graph ver 4.71 2021.09.05"; %------------------------------------------------------------------------------------------------- newinternal cntA,cntB,cntM,minX,minY,maxX,maxY,sftX,sftY,com,par,envT,envB,lenT,lineT,angT,rotT, crR,nA,nB,nC,nD,nE,nF,nS,nL,nR,nU,nP,xpos,ypos,markA,markB,saveA,saveB,bondL; @@ -46,7 +46,7 @@ numeric save_num[],comD[][],parD[][],adrD[][],cntD[],tbl_atom[],tbl_group[][],f_ com_group[][],par_group[][],cnt_group[],colorA[],colorB[],sumA[],bondC[],hideH[],lineB[], sB[],eB[],angB[],angA[],lenB[],angX[],numS[],wdM[],htM[],wdA[],dxA[],cmm_adr[],mc_indent[]; string save_str[],tbl_atom_str[],strD[],tag[],file_name_output,blank_str,aux_delimiter,atomfont, - mpfont,s_tag,s_var,cal_FM,cal_MW,cal_MI, + default_data_file,default_temp_file,mpfont,s_tag,s_var,cal_FM,cal_MW,cal_MI, inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW; pair save_pair[],posA[],posM[][],msize,mposition,fsize,fmargin,save_mposition,posBs,posBe,dum; picture mol_stru[],atom_picture,save_picture,temp_picture; @@ -94,6 +94,8 @@ if (known green)and(known ahlength): color color_list[]; for i=1 upto 100: colorA[i]:=colorB[i]:=0; endfor prologues:=3; + default_data_file:="mcf_data_base.mcf"; + default_temp_file:="temp.mcf"; mpfont:="uhvr8r"; atomfont:=defaultfont:=""; %--default ahangle=45--------------------------------------------------------------------- @@ -253,16 +255,16 @@ enddef; def beginfont(text s)= begingroup save ',f_beginchar,f_ext,blen,ext,add,ang_br,n_fw,n_bw,at_colon,at_semicol,temps,t_tag, - mc,info,file_name_input,bond_cnt,warning_cnt,hideH_cnt,bondC; + mc,info,file_name_input,bond_cnt,warning_cnt,hideH_cnt,bondC,filter_s; numeric at_semicol[]; - string info[],mc[],mc,temps,file_name_input,t_tag; + string info[],mc[],mc,temps,file_name_input,t_tag,filter_s; %------------------------------------------------------------------------------------------------ def ext=ext_to_font enddef; def add=add_to_molecule enddef; def '=read_ud enddef; %------------------------------------------------------------------------------------------------ inf_NO:=inf_EN:=inf_JN:=inf_MW:=inf_FM:=inf_CAS:=inf_USE:=inf_EXA:=inf_EXB:="-"; - mc:=t_tag:=file_name_input:=cal_MW:=cal_MI:=cal_FM:=""; + mc:=t_tag:=file_name_input:=cal_MW:=cal_MI:=cal_FM:=filter_s:=""; %------------------------------------------------------------------------------------------------ parts_cnt:=parts_usr_start; parts_int:=parts_int_start; @@ -376,8 +378,8 @@ enddef; %------------------------------------------------------------------------------------------------- def pickup_data_unit(expr t,v)= begingroup - save data_unit_cnt,f_end,semicol_cnt,cond,n_var; - f_end:=data_unit_cnt:=semicol_cnt:=cond:=at_semicol[0]:=inf_num:=0; + save unit_cnt,f_end,semicol_cnt,cond,n_var; + f_end:=unit_cnt:=semicol_cnt:=cond:=at_semicol[0]:=inf_num:=0; if t="n": n_var:=scantokens(v); fi forever: temps:=readfrom file_name_input; @@ -385,9 +387,9 @@ def pickup_data_unit(expr t,v)= exitif temps=EOF; if subc(1,temps)="%": ef (subc(1,temps)="+")and(subc(2,temps)<>"-"): - data_unit_cnt:=data_unit_cnt+1; + unit_cnt:=unit_cnt+1; if v="*": cond:=1; - ef t="n": if data_unit_cnt=n_var: cond:=1; fi + ef t="n": if unit_cnt=n_var: cond:=1; fi else: if v=scantokens("inf_"&t): cond:=1; fi fi if cond=1: @@ -414,10 +416,7 @@ def pickup_data_unit(expr t,v)= endfor fi else: - semicol_cnt:=0; - for i=1 upto length(temps): - if subc(i,temps)=";": semicol_cnt:=semicol_cnt+1; at_semicol[semicol_cnt]:=i; fi - endfor + semicol_cnt:=count_char(";",temps); inf_num:=semicol_cnt+1; for i=1 upto inf_num: if i<=semicol_cnt: info[i]:=substring (at_semicol[i-1],at_semicol[i]-1) of temps; @@ -446,6 +445,13 @@ vardef scan_char(expr c,s,d,n)= fi n_s enddef; +%-------------------------------------------------------------------------------------------------- +vardef count_char(expr c,s)= + save nS; + nS:=0; + for i=1 upto length(s): if subc(i,s)=c: nS:=nS+1; at_semicol[nS]:=i; fi endfor + nS +enddef; %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% def set_def_MC= save /,//,/*,*/,**,*/*,~,^,',`,<,>,:,=,\,\\,*\,\*,*\*,@,@$,$,&,&$,#,##,{,},|,||,_,inside_def_MC; @@ -454,9 +460,7 @@ def set_def_MC= | :=(_com,_mark); || := (_com,_moff); ##:=(_com,_len_e); _:=Me; \:=0; \\:=zero_dm; *\:=zero_wf; \*:=zero_zf; *\*:=zero_wv; let = ==op_equ; let : ==op_col; let ^ ==op_hat; let ~ ==op_til; let > ==op_lt; let ` ==op_bq; -%%%%%%%%% def @$ == @.$ enddef; - def @$ == jump_atom_abs enddef; - def { == read_number( enddef; let } == ); def '==read_id enddef; + def @$ == jump_atom_abs enddef; def { == read_number( enddef; let } == ); def '==read_id enddef; def < == rot_angle enddef; def @ == jump_atom enddef; def & == cyc_atom enddef; def # == chg_length enddef; def $ == abs_adress enddef; def &$ == &.$ enddef; def / == group_si enddef; def // == group_dm enddef; def */ == group_wf enddef; @@ -2074,24 +2078,161 @@ def proc_err(expr ERR_CODE,ADR)= fi enddef; %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -vardef count_data_unit(expr f)= - save temps,file_name,f_mcf,f_error,line_cnt,unit_cnt; - string temps,file_name; - line_cnt:=unit_cnt:=f_mcf:=f_error:=0; - file_name:=f&".mcf"; - forever: - temps:=readfrom file_name; - exitif temps=EOF; - line_cnt:=line_cnt+1; - if subc(1,temps)="%": +def query(text s)= + begingroup + save temps,file_name,f_mcf,f_line,unit_row,unit_cnt,line_s,unit_row_cnt,mc_row,line_cnt, + semicol_cnt,inf_num,info_s,filter_n,tag_s,var_s,order,min_s,min_n,par_cnt,key_cnt,var_n, + sign_at,sign_n,filter_tag,filter_var,filter_sign,filter_cnt,temp_s, + at_semicol,at_colon,at_equal,at_less,at_greater,at_n; + string line_s[][],sort_s[],par_list[],sort_all[],key_s[],filter_s[],filter_tag[],filter_var[], + temps,file_name_input,info_s,tag_s,var_s,temp_s,min_s; + numeric unit_row_cnt[],at_semicol[],order[],order_tbl[],filter_sign[]; + unit_row:=f_mcf:=mc_row:=line_cnt:=inf_num:=par_cnt:=key_cnt:=filter_cnt:=at_semicol[0]:=0; + unit_cnt:=1; + for list=s: par_cnt:=par_cnt+1; par_list[par_cnt]:=list; endfor + %------------------------------------------------------------------------------------------------ + file_name_input:=default_data_file; + file_name_output:=default_temp_file; + %------------------------------------------------------------------------------------------------ + for j=1 upto par_cnt: + at_colon:=scan_char(":",par_list[j],0,1); + at_equal:=scan_char("=",par_list[j],0,1); + at_less:=scan_char("<",par_list[j],0,1); + at_greater:=scan_char(">",par_list[j],0,1); + %--------------------------------------------------------------------------------------------- + if at_colon>=2: sign_at:=at_colon; sign_n:=0; at_n:=1; + ef at_equal>=2: if (at_equal-1)=at_less: sign_at:=at_equal; sign_n:=5; at_n:=2; + ef (at_equal-1)=at_greater: sign_at:=at_equal; sign_n:=6; at_n:=2; + else: sign_at:=at_equal; sign_n:=1; at_n:=1; fi + ef at_greater>=2: if (at_greater-1)=at_less: sign_at:=at_greater; sign_n:=2; at_n:=2; + else: sign_at:=at_greater; sign_n:=4; at_n:=1; fi + ef at_less>=2: sign_at:=at_less; sign_n:=3; at_n:=1; + fi + tag_s:=substring (0,sign_at-at_n) of par_list[j]; + var_s:=substring (sign_at,length(par_list[j])) of par_list[j]; + %--------------------------------------------------------------------------------------------- + if sign_n=0: + if tag_s="i": file_name_input:=var_s; + ef tag_s="o": file_name_output:=var_s; + ef tag_s="s": key_cnt:=key_cnt+1; key_s[key_cnt]:=var_s; + fi + %--------------------------------------------------------------------------------------------- else: - if (subc(1,temps)="+")and(subc(2,temps)<>"-"): if f_mcf=1: f_error:=1; fi f_mcf:=1; fi - if (subc(1,temps)="+")and(subc(2,temps)="-"): - if f_mcf=0: f_error:=1; else: f_mcf:=0; unit_cnt:=unit_cnt+1; fi + filter_cnt:=filter_cnt+1; + filter_tag[filter_cnt]:=tag_s; + filter_sign[filter_cnt]:=sign_n; + if (sign_n>=3)and(is_num(var_s)=1): filter_var[filter_cnt]:=fix_n(var_s); + else: filter_var[filter_cnt]:=var_s; + fi + fi + endfor + %------------------------------------------------------------------------------------------------ + forever: + temps:=readfrom file_name_input; exitif temps=EOF; + if subc(1,temps)<>"%": + line_cnt:=line_cnt+1; unit_row:=unit_row+1; + line_s[unit_cnt][unit_row]:=temps; + if (subc(1,temps)="+")and(subc(2,temps)<>"-"): f_mcf:=1; mc_row:=1; + ef (subc(1,temps)="+")and(subc(2,temps)="-"): + unit_row_cnt[unit_cnt]:=unit_row; + f_mcf:=unit_row:=0; + if filter_n=1: unit_cnt:=unit_cnt+1; fi + ef (subc(1,temps)<>"+")and(subc(1,temps)<>"%"): + if f_mcf=1: mc_row:=mc_row+1; + else: + semicol_cnt:=count_char(";",temps); + inf_num:=semicol_cnt+1; + filter_n:=1; + %--------------------------------------------------------------------------------------- + for i=1 upto inf_num: + if i<=semicol_cnt: info_s:=substring (at_semicol[i-1],at_semicol[i]-1) of temps; + else: info_s:=substring (at_semicol[semicol_cnt],length(temps)) of temps; + fi + at_colon:=scan_char(":",info_s,0,1); + tag_s:=substring (0,at_colon-1) of info_s; + var_s:=substring (at_colon,length(info_s)) of info_s; + %------------------------------------------------------------------------------------- + for j=1 upto key_cnt: + if key_s[j]=tag_s: + if is_num(var_s)=1: sort_s[j]:=fix_n(var_s); else: sort_s[j]:=var_s; fi + fi + endfor + %------------------------------------------------------------------------------------- + for j=1 upto filter_cnt: + if filter_tag[j]=tag_s: + if (filter_sign[j]>=3)and(is_num(var_s)=1): temp_s:=fix_n(var_s); + else: temp_s:=var_s; + fi + if filter_sign[j]=1: if not(temp_s= filter_var[j]): filter_n:=0; fi + ef filter_sign[j]=2: if not(temp_s<>filter_var[j]): filter_n:=0; fi + ef filter_sign[j]=3: if not(temp_s< filter_var[j]): filter_n:=0; fi + ef filter_sign[j]=4: if not(temp_s> filter_var[j]): filter_n:=0; fi + ef filter_sign[j]=5: if not(temp_s<=filter_var[j]): filter_n:=0; fi + ef filter_sign[j]=6: if not(temp_s>=filter_var[j]): filter_n:=0; fi + fi + fi + endfor + endfor + %------------------------------------------------------------------------------------- + sort_all[unit_cnt]:=""; + for j=1 upto key_cnt: + if j=key_cnt: sort_all[unit_cnt]:=sort_all[unit_cnt]&sort_s[j]; + else: sort_all[unit_cnt]:=fix_s(15,sort_s[1]); + fi + endfor + %------------------------------------------------------------------------------------- + fi fi - exitif f_error=1; fi endfor - if f_error=1: -line_cnt else: unit_cnt fi + %============================================================================================= + unit_cnt:=unit_cnt-1; + %--------------------------------------------------------------------------------------------- + if key_cnt>=1: + for i=1 upto unit_cnt: order[i]:=0; endfor + for i=1 upto unit_cnt: min_s:="~"; + for j=1 upto unit_cnt: + if order[j]=0: if sort_all[j]<min_s: min_s:=sort_all[j]; min_n:=j; fi fi + endfor + order[min_n]:=i; order_tbl[i]:=min_n; + endfor + for i=1 upto unit_cnt: + for j=1 upto unit_row_cnt[order_tbl[i]]: printf line_s[order_tbl[i]][j]; endfor + endfor + else: + for i=1 upto unit_cnt: for j=1 upto unit_row_cnt[i]: printf line_s[i][j]; endfor endfor + fi + closefrom file_name_input; closefrom file_name_output; + endgroup; +enddef; +%============================================================================================= +vardef fix_s(expr n,s)= + save temp_s; + string temp_s; + if length(s)<n: temp_s:=s&substring(0,n-length(s)) of blank_str; + ef length(s)>n: temp_s:=substring(0,n) of s; + fi + temp_s +enddef; +%--------------------------------------------------------------------------------------------- +vardef fix_n(expr s)= + save temp_s,at_dot; + string temp_s; + temp_s:=s; + at_dot:=scan_char(".",temp_s,0,1); + if at_dot=0: temp_s:=fsr(4)(temp_s); ef at_dot=1: temp_s:=" 0"&temp_s; + ef at_dot=2: temp_s:=" "&temp_s; ef at_dot=3: temp_s:=" "&temp_s; + ef at_dot=4: temp_s:=" "&temp_s; + fi + temp_s +enddef; +%--------------------------------------------------------------------------------------------- +vardef is_num(expr s)= + save numeric_n; + numeric_n:=1; + for i=1 upto length(s): + if ((subc(i,s)>="0")and(subc(i,s)<="9"))or(subc(i,s)="."): else: numeric_n:=0; fi + endfor + numeric_n enddef; %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% |