diff options
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 6 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 14 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf | 9 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 248183 -> 248143 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | 25 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 415542 -> 418909 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 56 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 123685 -> 123650 bytes | |||
| -rw-r--r-- | Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf | 56 | ||||
| -rwxr-xr-x | Master/tlpkg/libexec/ctan2tds | 2 |
10 files changed, 93 insertions, 75 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index b8ecc306c02..3137460edb4 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,6 +1,10 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2016-03-05 + Changelog of mcf2graph software package by Akira Yamaji 2016-03-19 ******************************************************************************* +[ver. 3.84 / 2016-03-19] + -improve efficiency of command @,: + -update MCF syntax manual + [ver. 3.83 / 2016-03-05] -change option parameter name sw_logout => sw_auxout diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index d9ff8db8463..773c46846b6 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/README +++ b/Master/texmf-dist/doc/metapost/mcf2graph/README @@ -1,7 +1,7 @@ ******************************************************************************** mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST Author : Akira Yamaji - version : 3.83 2016-03-05 + version : 3.84 2016-03-19 E-mail : mcf2graph@gmail.com Located at : http://www.ctan.org/pkg/mcf2graph ******************************************************************************** @@ -53,13 +53,13 @@ font_wd#:=60mm#; % font width > font_ht#:=40mm#; % font height > %-- molecular definition ----------------------------------------------- - beginfont("EN:Acetamiprid") % Molecular name 1 - sw_font_frame:=1; % > Local setting - MCf(<30,Ph,4\,!,NH,!,!~dr,N,!,CN) % Molecular Coding Format + beginfont("EN:Acetamiprid") % molecular 1 + sw_font_frame:=1; % > Local setting + MCf(<30,Ph,4\,!,NH,!,!~dr,N,!,CN) % MCF endfont % - beginfont("EN:Imidacloprid") % Molecular name 2 - sw_start_vector:=1; % > Gloval setting - MCf(<30,Ph,1:N,6:/Cl,3\,!, % Molecular Coding Format + beginfont("EN:Imidacloprid") % molecular 2 + sw_start_vector:=1; % > Local setting + MCf(<30,Ph,1:N,6:/Cl,3\,!, % MCF |,?5,1:N,3:NH,2\\,!,NO2) endfont %----------------------------------------------------------------------- diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf index 9593ce89724..3aa36766135 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -13,10 +13,11 @@ sw_atom_frame:=0; sw_numberB:=0; sw_expand:=0; sw_start_vector:=0; -%%%%sw_info_formula:=1; -%%%%sw_info_weight:=1; -%%%%sw_checklist:=1; -%%%%sw_MOLout:=1; +%%%% sw_info_formula:=1; +%%%% sw_info_weight:=1; +%%%% sw_checklist:=1; +%%%% sw_MOLout:=1; +%%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png"; %*************************************************************************** beginfont("EN:Acetamiprid") MCf(<30,Ph,4\,!,NH,!,!~dr,N,!,CN) diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf Binary files differindex c4075007512..e85094d8f01 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf index bccfa6d0588..149370c2b6e 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -55,7 +55,6 @@ beginfont("EN:Jump") sw_numberA:=1; max_bond_width:=0.20; ratio_chain_ring:=1; - sw_start_vector:=1; MCf(<30,!6,3*,0,!) endfont %*********************************************************************** @@ -63,7 +62,6 @@ beginfont("EN:Branch") sw_numberA:=1; max_bond_width:=0.20; ratio_chain_ring:=1; - sw_start_vector:=1; MCf(<30,!6,3\,!) endfont %*********************************************************************** @@ -71,7 +69,6 @@ beginfont("EN:Connect bond") sw_numberA:=1; max_bond_width:=0.20; ratio_chain_ring:=1; - sw_start_vector:=1; MCf(<30,!6,3\,-60,&5) endfont %*********************************************************************** @@ -162,31 +159,27 @@ endfont beginfont("EN:fused ring 1") sw_start_vector:=1; sw_numberB:=1; - numberB_end:=6; - MCf(<30,?6,3=?5) + MCf(<30,?6,3=?5,$(3)dt,$(7,8,9,10)bd) endfont %*********************************************************************** beginfont("EN:fused ring 1") sw_start_vector:=1; sw_numberB:=1; - MCf(<30,?6,$(-3,-4,-4,-2,-2,-4,-4)?6) + MCf(<30,?6,$(-3,-4,-4,-2,-2,-4,-4)?6,$(4,8,13,20,25,28,33)dt) endfont %*********************************************************************** beginfont("EN:fused ring 2") sw_numberB:=1; - numberB_end:=11; - MCd(1,.7)( 0,0)(<30,?6,3=?6,(11,4)=?6[4]) - MCd(1,.6)(.54,1)(<30,?6,3=?6,(11,4)=?5[3]) - MCd(1,.6)(1, 0)(<30,?6,3=?6,(11,4)=?4[2]) + MCd(1,.7)( 0,0)(<30,?6,3=?6,(11,4)=?6[4],$(11,4)dt,$(12,13,14,15)bd) + MCd(1,.6)(.54,1)(<30,?6,3=?6,(11,4)=?5[3],$(11,4)dt,$(12,13,14)bd) + MCd(1,.6)(1, 0)(<30,?6,3=?6,(11,4)=?4[2],$(11,4)dt,$(12,13)bd) endfont %*********************************************************************** beginfont("EN:fused ring 3") sw_numberB:=1; - numberB_end:=16; - MCd(1,.55)(0,0)(?6,$(3,10)?6,(16,4)=?6[3]) - MCd(1,.55)(.43,1)(?6,$(3,10)?6,(16,4)=?5[2]) - numberB_end:=21; - MCd(1,.53)(1,0)(<30,?6,$(2,10,15)?6,(21,3)=?6[2]) + MCd(1,.55)(0,0)(?6,$(3,10)?6,(16,4)=?6[3],$(16,4)dt,$(17,18,19)bd) + MCd(1,.55)(.5,1)(?6,$(3,10)?6,(16,4)=?5[2],$(16,4)dt,$(17,18)bd) + MCd(1,.68)(1,0)(?6,$(3,10,15)?6,(21,4)=?6[2],$(21,4)dt,$(22,23)bd) endfont %*********************************************************************** beginfont("EN:Spiro ring ") @@ -268,7 +261,7 @@ endfont %*********************************************************************** beginfont("EN:change atom and substituent") sw_start_vector:=1; - MCf(<30,!3,NH,!,SOO,!3) + MCf(<30,!2,NH,!,SO,!,SOO,!3) endfont %*********************************************************************** beginfont("EN:Change color") diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf Binary files differindex ea09ae88d63..9234c8801d1 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index 047b10e3da7..81219e15e38 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex @@ -1,4 +1,4 @@ -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Molecular Coding Format manual by Akira Yamaji 2016.03.05 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} @@ -59,9 +59,9 @@ {\LARGE\bf Molecular Coding Format manual}\vspace{3mm}\\ Author : Akira Yamaji \quad Date : \today\\ Located at : http://www.ctan.org/pkg/mcf2graph\vspace{3mm}\\ -\begin{minipage}{145mm} -\quad Molecular Coding Format(MCF) is new linear notation represent chmical - structure diagram. This 'Coding' is named from coding(programing) technique +\begin{minipage}{148mm} +\quad Molecular Coding Format(MCF) is new linear notation represent chemical + structure diagrams. This 'Coding' is named from coding(programing) technique like adressing,grouping,macro,etc. There are no Meta language commands in MCF. mcf2graph.mf(metapost/metafont macro) convert MCF file to graphics file pk font,PNG,SVG,EPS or MDL MOL file(V2000). \\ @@ -79,15 +79,16 @@ sw_auxout:=1; % aux(information) file output on > sw_numberA:=0; % numbering atom off > sw_numberB:=0; % numbering bond off > sw_expand:=0; % substituent expand mode off > -sw_start_vector:=0; % start vector output off >Gloval setting +sw_start_vector:=0; % start vector output off > Gloval setting sw_info_formula:=1; % molecular formula output on > sw_info_weight:=1; % molecular weight output on > sw_font_frame:=0; % font frame off > font_wd#:=60mm#; % font width > font_ht#:=40mm#; % font height > +outputformat:="png"; hppp:=vppp:=0.1; > PNG output +outputtemplate:="%j-%3c.png"; > %------------------------------------------------------------------------- beginfont("NO:1","EN:Chlorophyll a","MW:893.49") % begin font(information) - %----------------------------------------------------------------------- sw_font_frame:=1; % font frame on > font_wd#:=120mm#; % font width set > Local setting font_ht#:=80mm#; % font height set > @@ -111,8 +112,6 @@ bye {\bf (Molecular structure diagram output)}\vspace{3mm}\\ \frame{\makebox(100,44){\@strufont\char0}}\vspace{6mm}\\ %---------------------------------------------------------------------------- -\newpage% -%---------------------------------------------------------------------------- \noindent% {\bf (Molecular information output)} \begin{verbatim} @@ -279,11 +278,11 @@ six membered ring \begin{minipage}[t][37mm]{90mm} \MCFtitle{Change bond type (1)} \begin{verbatim} -~bond : change bond - dm:double, - dl:double left side, dr:double right side, - wf:wedge forward, wb:wedge backward, - zf:wedge dotted, zb:wedge dotted backward +a~type : ~~type,a +dm:double, +dl:double left side, dr:double right side, +wf:wedge forward, wb:wedge backward, +zf:wedge dotted, zb:wedge dotted backward <30,!~dm,!~dl,!~dr,!~wf,!~wb,!~zf,!~zb \end{verbatim} @@ -294,9 +293,9 @@ six membered ring \begin{minipage}[t][37mm]{90mm} \MCFtitle{Change bond type (2)} \begin{verbatim} - Bn=bond type : change bond type at Bn - vf : vector forward, vb : vector backward - tm : triple, dt : dotted, wv : wave +Bn=bond type : change bond type at Bn +vf : vector forward, vb : vector backward +tm : triple, dt : dotted, wv : wave <30,!5,1=vf,2=vb,3=tm,4=dt,5=wv \end{verbatim} @@ -313,6 +312,7 @@ six membered ring <30,!5,$(2,4)dr, @(3~bd^-45`2,5~ov^45`2)/Me +** 3~bd^-45`2 : ~~bd,^^-45,'`2,3 \end{verbatim} \end{minipage} \MCFstructure @@ -321,9 +321,11 @@ six membered ring \begin{minipage}[t][37mm]{90mm} \MCFtitle{Change bond length (1)} \begin{verbatim} -Bn`length : change bond length at Bn +(!,!n,?n)`length : change length of !,!n,?n <30,!2,!2`1.2,!2 + +** !2`1.2 : '`1.2,!2 \end{verbatim} \end{minipage} \MCFstructure @@ -479,11 +481,11 @@ MCd(1,.6)( 1,0)(<30,?6,3=?6,(11,4)=?4[2]) \begin{verbatim} (16,4)=?6[3] : fuse 3/6 ring to B16..B4 (16,4)=?5[2] : fuse 2/5 ring to B16..B4 -(21,3)=?6[2] : fuse 2/6 ring to B21..B3 +(21,4)=?6[2] : fuse 2/6 ring to B21..B4 -MCd(1,.5)( 0, 0)(?6,$(3,10)?6,(16,4)=?6[3]) -MCd(1,.5)(.43,1)(?6,$(3,10)?6,(16,4)=?5[2]) -MCd(1,.5)(1,0)(<30,?6,$(2,10,15)?6,(21,3)=?6[2]) +MCd(1,.55)( 0,0)(?6,$(3,10)?6,(16,4)=?6[3]) +MCd(1,.55)(.5,1)(?6,$(3,10)?6,(16,4)=?5[2]) +MCd(1,.68)(1, 0)(?6,$(3,10,15)?6,(21,4)=?6[2]) \end{verbatim} \end{minipage} \MCFstructure @@ -545,7 +547,7 @@ MCf(<30, \MCFtitle{Insert substituent(2)} \begin{verbatim} / : single // : double -*/ : wedge forward /* : wedge backward +*/ : wedge forward /* : wedge dotted forward ** : direct MCf(<30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,!) @@ -598,8 +600,8 @@ MCf(<30,?6, \begin{minipage}[t][37mm]{90mm} \MCFtitle{Add substituent(3)} \begin{verbatim} -~,^,` : change type,angle,length - of substituent +~,^,`,> : change type,angle,length, + environment of substituent MCF(<30,!7`1, @(2,3)/*Me`2^30,5:*/Pr>lr,7:*/Pr>rl) @@ -654,10 +656,10 @@ MCF(<30,!7`1, \begin{minipage}[t][37mm]{90mm} \MCFtitle{Change atom and Substituent} \begin{verbatim} -NH,SOO : inset hetero atom and substituent - simultaneously +NH,SO,SOO : inset hetero atom and substituent + simultaneously - <30,!3,NH,!,SOO,!3 + <30,!2,NH,!,SO,!,SOO,!3 \end{verbatim} \end{minipage} diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf Binary files differindex 7ecb0c5f8c9..e7c934bb561 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf index 2b79e0b9c5c..86a70da2d4b 100644 --- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf +++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% mcf2graph ver 3.83 Copyright (c) 2013-2016 Akira Yamaji +% mcf2graph ver 3.84 Copyright (c) 2013-2016 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, @@ -38,7 +38,8 @@ numeric angB[],angA[],br_ang[],sB[],eB[],f_FON[],atom_w[],atom_h[],atom_d[],strA comMC[][],parMC[][],stock_p[],cntMC[],colorA[],colorB[],tblN[],tblB[][],wtA[],sumA[], CH[],NH[],NO[],SO[],CCl[],CF[],CBr[],?[],![],Ph[]; path pA,pB,pC,pT; -string info[],tblA[],com_str[],calc_formula,mp_log_name,mol_name,mol_formula,calc_weight_str; +string info[],tblA[],com_str[], + calc_formula,mp_log_name,mol_name,mol_formula,calc_weight_str,info_str; picture atom_font[],chem_structure,temp_picture; %------------------------------------------------------------------------------------------------- sw_numberA:=sw_numberB:=sw_mol_frame:=sw_auxout:=sw_solid:=sw_expand:=sw_start_vector:=0; @@ -46,6 +47,7 @@ char_num:=str_cnt:=proc_end:=sw_font_frame:=sw_atom_frame:=sw_checklist:=sw_MOLo sw_info_lenx:=sw_info_leny:=sw_info_weight:=sw_info_formula:=sw_subst_off:=sw_bond_single:=0; sw_info_file:=sw_info_char:=1; numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095; +info_str:="\INFO"; %------------------------------------------------------------------------------------------------- if known green: f_MP:=1; mp_log_name:=jobname&"-info.aux"; @@ -82,7 +84,7 @@ par_s=ASCII("{"); par_e=ASCII("}"); score_u=ASCII("_"); hat=ASCII("^"); max_info_num:=12; for i:=1 upto max_info_num: info[i]:=":"; endfor def def_com(expr n)(text tx)= nA:=n; forsuffixes list=tx:: list:=nA; nA:=nA+1; endfor enddef; def_com(-4000)(_term,_jp_atom,_jp_atom_abs,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_line,_chg_line, - _dl,_tmp_line,_chg_len,_get_len,_ring_len,_tmp_len,_rot_ang,_set_ang,_adj_ang,_chg_env, + _dl,_N,_O,_S,_H,_tmp_line,_chg_len,_get_len,_ring_len,_tmp_len,_rot_ang,_set_ang,_adj_ang,_chg_env, _tmp_env,_set_colorA,_set_colorB,_postA,_postB,_postC,_postD,_postE,_postF,_set_psA,_stack_reset, _set_clr,_set_adr,_mk_bond,_set_atom,_arg_ang,_chg_atom,_tmp_rot,_fuse,_push,_pop,_size_a); def_com(1)(si,dl,dr,dm,tm,wf,wb,bd,zf,zb,ov,dt,no,ar,vf,vb,wv,nl); @@ -249,26 +251,38 @@ def $$(text t)(expr e) = enddef; %------------------------------------------------------------------------------------------------- def PA(expr a,b)= cntAS:=cntAS+1; comMC[ab_num][cntAS]:=a; parMC[ab_num][cntAS]:=b; enddef; +def PAs(text t)= for list==t:: PA(xpart(list),ypart(list)) endfor enddef; def @@(text t)(expr s)= - begingroup save cntAS; cntAS:=0; ab_num:=ab_num+1; + begingroup save cntAS,xs,ys; cntAS:=0; ab_num:=ab_num+1; if known s:: if numeric s:: - if (s>=H)and(s<=U):: for list==t:: PA(_set_adr,list) PA(_chg_atom,s) endfor - elseif s==NH:: for list==t:: - if numeric list:: PA(_set_adr,list) PA(_chg_atom,N) - PA(_tmp_line,no) PA(_tmp_len,_size_a) PA(_set_psA,H) - elseif pair list:: PA(xpart(list),ypart(list)) fi endfor - elseif s==SOO:: for list==t:: PA(_set_adr,list) PA(_chg_atom,S) - PA(_tmp_rot,35) PA(_tmp_line,dm) PA(_set_psA,O) - PA(_tmp_rot,-35) PA(_tmp_line,dm) PA(_set_psA,O) endfor + if (s>=H)and(s<=U):: + for list==t:: + if s==N:: PA(_N,list) elseif s==O:: PA(_O,list) elseif s==S:: PA(_S,list) + else:: PA(_set_adr,list) PA(_chg_atom,s) fi + endfor + elseif s==NH:: + for list==t:: + if numeric list:: PAs((_N,list),~~no,'`_size_a,(_H,list)) + elseif pair list:: PAs(list) fi + endfor + elseif s==SOO:: + for list==t:: + PAs((_S,list),(_set_adr,list),^^35,~~dm,(_set_psA,O),^^-35,~~dm,(_set_psA,O)) + endfor + elseif s==SO:: + for list==t:: + if numeric list:: PAs((_S,list),(_set_adr,list),~~dm,(_set_psA,O)) + elseif pair list:: PAs(list) fi + endfor fi elseif pair s:: xs:=xpart(s); ys:=ypart(s); PA(_set_clr,1) for list==t:: if numeric list:: - if xs==_postA:: elseif xs==_postB:: PA(_tmp_line,dm) - elseif xs==_postC:: PA(_tmp_line,wf) elseif xs==_postD:: PA(_tmp_line,zf) - elseif xs==_postE:: PA(_tmp_line,nl) elseif xs==_postF:: PA(_tmp_line,no) fi - PA(_set_adr,list) PA(_set_psA,ys) - elseif pair list:: PA(xpart(list),ypart(list)) fi + if xs==_postA:: elseif xs==_postB:: PAs(~~dm) + elseif xs==_postC:: PAs(~~wf) elseif xs==_postD:: PAs(~~zf) + elseif xs==_postE:: PAs(~~nl) elseif xs==_postF:: PAs(~~no) fi + PA(_set_adr,list) PA(_set_psA,ys) + elseif pair list:: PAs(list) fi endfor PA(_set_clr,0) elseif color s:: color_list[incr cntC]:=s; @@ -367,6 +381,10 @@ def proc_bond_atom(expr n)= elseif com=0or_jp_atom: termA; sB[cntB+1]:=getA(par); f_bra:=1; elseif com=_jp_atom_abs: sB[cntB+1]:=par; f_bra:=1; temp_cntB:=cntB; elseif com=_chg_atom: strA[getA(adrT)]:=parMC[par][1]; + elseif com=_N: strA[getA(par)]:=parMC[N][1]; + elseif com=_O: strA[getA(par)]:=parMC[O][1]; + elseif com=_S: strA[getA(par)]:=parMC[S][1]; + elseif com=_H: ps_put(getA(par),H); elseif com=_chg_len: if par=_ring_len: bondL:=ringL; elseif par=0: if lenT<>crR: bondL:=lenT; else: if bondL<0: bondL:=1; fi fi else: bondL:=par; fi @@ -549,7 +567,7 @@ vardef fit_zero(expr n)=if n<=9: "00" elseif n<=99: "0" fi enddef; def info_c(expr sw,c,cc)= if sw=1: &"{"&c&":"&cc&"}" fi enddef; def info_n(expr sw,c,n)= if sw=1: &"{"&c&":"&decimal(n)&"}" fi enddef; def auxfile_out= - printf "\INFO{" + printf info_str&"{" info_c(sw_info_file,"F",jobname) info_n(sw_info_char,"C",char_num) info_n(sw_info_lenx,"Lx",len_x) info_n(sw_info_leny,"Ly",len_y) info_n(sw_info_weight,"MWc",calc_weight) info_c(sw_info_formula,"FMc",calc_formula) @@ -727,7 +745,7 @@ tbl_cnt:=0; STa("C",12.0107); STa("H",1.00794); STa("{Al}",26.9815); STa("{As}",74.9236); STa("B",10.811); STa("{Br}",79.904); STa("{Ca}",40.078); STa("{Cl}",35.453); STa("{Cu}",63.546); STa("D",2.012); STa("F",18.9984); STa("{Fe}",55.845); STa("{Hg}",200.59); STa("I",126.90447); STa("K",39.0983); -STa("{Li}",6.941); STa("{Mg}",24.305); STa("N",14.007); STa("{Na}",22.990); STa("{Ni}",58.693); +STa("{Li}",6.941); STa("{Mg}",24.305); STa("N",14.0067); STa("{Na}",22.98977); STa("{Ni}",58.693); STa("O",15.9994); STa("P",30.973761); STa("S",32.065); STa("{Si}",28.0855); STa("{Sn}",118.71); STa("{Ti}",47.867); STa("{Zn}",65.409); tbl_max:=tbl_cnt;; diff --git a/Master/tlpkg/libexec/ctan2tds b/Master/tlpkg/libexec/ctan2tds index cf6822a840d..4cc3858573a 100755 --- a/Master/tlpkg/libexec/ctan2tds +++ b/Master/tlpkg/libexec/ctan2tds @@ -2346,7 +2346,7 @@ my $core_latex = "$Master/texmf-dist/tex/latex"; 'mversion' => 'latex', # requires interaction 'minitoc' => 'latex', # requires interaction and 1000q instead of 10q 'mylatexformat'=> 'tex', - 'nameauth' => 'pdflatex', # requires interaction + 'nameauth' => 'pdflatex-preserve-pdf', 'nomentbl' => 'latex -translate-file=empty.tcx', # no 8-bit 'pbsheet' => 'latex', # requires interaction 'thumb' => 'latex -translate-file=empty.tcx', # no 8-bit |