diff options
Diffstat (limited to 'graphics/mcf2graph/mcf2graph.mp')
-rw-r--r-- | graphics/mcf2graph/mcf2graph.mp | 59 |
1 files changed, 28 insertions, 31 deletions
diff --git a/graphics/mcf2graph/mcf2graph.mp b/graphics/mcf2graph/mcf2graph.mp index 87238a2132..2dd08fb804 100644 --- a/graphics/mcf2graph/mcf2graph.mp +++ b/graphics/mcf2graph/mcf2graph.mp @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% mcf2graph ver 4.91 Copyright (c) 2013-2023 Akira Yamaji +% mcf2graph ver 4.92 Copyright (c) 2013-2023 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, @@ -17,23 +17,23 @@ % OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % mcf2graph is MetaPost macro package convert Molecular Coding Format(MCF) to graphic file -% eps/sgv/png/mdl molfile +% sgv/eps/png/mdl molfile %-------------------------------------------------------------------------------------------------- % This package is located at : http://www.ctan.org/pkg/mcf2graph % Suggestion or request mail to : mcf2graph@gmail.com %-------------------------------------------------------------------------------------------------- -% Set outputformat to "eps" (.mps) : mpost FILENAME -% Set outputformat to "png" (.png) : mpost -s ahangle=1 FILENAME -% Set outputformat to "svg" (.svg) : mpost -s ahangle=2 FILENAME -% Set outputformat to "eps" (.eps) : mpost -s ahangle=3 FILENAME -% Set output information aux file (for TeX) : mpost -s ahlength=1 FILENAME -% Set output information aux file (for spread sheet) : mpost -s ahlength=2 FILENAME -% Set output aux library file : mpost -s ahlength=3 FILENAME -% Set output MOL file (V2000) : mpost -s ahlength=5 FILENAME -% Set output MOL file (V3000) : mpost -s ahlength=6 FILENAME -% Set output report : mpost -s ahlength=7 FILENAME +% Set outputformat to "svg" (.svg) : mpost FILENAME *default +% Set outputformat to "png" (.png) : mpost -s ahangle=1 FILENAME +% Set outputformat to "eps" (.eps) : mpost -s ahangle=2 FILENAME +% Set outputformat to "eps" (.mps) : mpost -s ahangle=3 FILENAME +% Set output information aux file (for TeX) : mpost -s ahlength=1 FILENAME +% Set output information aux file (for spread sheet) : mpost -s ahlength=2 FILENAME +% Set output aux library file : mpost -s ahlength=3 FILENAME +% Set output MOL file (V2000) : mpost -s ahlength=5 FILENAME +% Set output MOL file (V3000) : mpost -s ahlength=6 FILENAME +% Set output report : mpost -s ahlength=7 FILENAME %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -message "* This is mcf2graph ver 4.91 2023.01.09"; +message "* This is mcf2graph ver 4.92 2023.01.29"; tracingstats:=1; prologues:=3; warningcheck:=0; %------------------------------------------------------------------------------------------------- newinternal string EN_; @@ -43,8 +43,8 @@ string save_str[],tbl_atom_str[],str_tbl[],tag[],info_s[],arg_s[],aux_delimiter file_input,file_output,default_temp_file,mpfont,atomfont,tempc,temps,blanks; pair save_pair[],msize,mposition,fsize,fmargin,dum,save_mposition; %------------------------------------------------------------------------------------------------- -fig_num:=str_cnt:=tbl_cnt:=mangle:=sw_expand:=sw_frame:=sw_trimming:=sw_ext_all:=0; -sw_abbreviate:=sw_numbering:=sw_output:=0; numbering_start:=1; numbering_end:=4095; +fig_num:=str_cnt:=tbl_cnt:=mangle:=sw_expand:=sw_frame:=sw_trimming:=sw_ext_all:=sw_abbreviate:=0; +sw_numbering:=sw_output:=0; numbering_start:=1; numbering_end:=4095; %------------------------------------------------------------------------------------------------- aux_max:=max_inf_num:=20; aux_delimiter:=";"; blanks:= " "; dum:=(-4091,0); for i=1 upto aux_max: tag[i]:=""; endfor @@ -83,18 +83,17 @@ def warning(expr s)= message "% "&decimal(fig_num)&fdr(3)(incr warning_cnt)&")"& default_library:="mcf_library.mcf"; default_temp_file:="temp.mcf"; mpfont:="uhvr8r"; atomfont:="draw"; defaultfont:=mpfont; %--default ahangle=45--------------------------------------------------------------------- -if ahangle=0: outputformat:="eps"; % eps format(.mps) -ef ahangle=1: outputformat:="png"; hppp:=vppp:=0.12; % png format(600dpi) +if ahangle=1: outputformat:="png"; hppp:=vppp:=0.12; % png format(600dpi) ef ahangle=11: outputformat:="png"; hppp:=vppp:=0.06; % png format(1200dpi) -ef ahangle=2: outputformat:="svg"; % svg format -ef ahangle=3: outputformat:="eps"; % eps format(.eps) -ef ahangle=45: outputformat:="eps"; % eps format(.mps) *default +ef ahangle=2: outputformat:="eps"; % eps format(.eps) +ef ahangle=3: outputformat:="eps"; % eps format(.mps) +ef ahangle=45: outputformat:="svg"; % svg format *default fi %--default ahlength=4--------------------------------------------------------------------- if ahlength=1: sw_output:=Info; % output aux file ef ahlength=2: sw_output:=Info+Table; % output aux file(Table mode) ef ahlength=3: sw_output:=Info+Mcode; % output aux library -ef ahlength=4: sw_output:=Fig; % *default +ef ahlength=4: sw_output:=Fig; % output figure *default ef ahlength=5: sw_output:=MOL2k; % output MOL(V2000) ef ahlength=6: sw_output:=MOL3k; % output MOL(V3000) ef ahlength=7: sw_output:=Report; % output report @@ -104,11 +103,11 @@ if bboxmargin=3: ext(defaultfont:=mpfont; defaultscale:=.3; label.rt(inf_EN,(0,0 ef bboxmargin=4: sw_output:=Fig+Calc; ext(defaultfont:=mpfont; defaultscale:=.3; label.rt(inf_EN&" / "&cal_MW&" / "&decimal(num_MW-scantokens(inf_MW)),(0,0));) fi -%--default outputtemplate:="%j-%3c."&"mps"------------------------------------------------ -if (outputformat="eps")and(ahangle<>3): outputtemplate:="%j-%3c."&"mps"; -ef outputformat="svg": outputtemplate:="s%3c-%{EN_}.svg"; -ef outputformat="png": outputtemplate:="p%3c-%{EN_}.png"; -else: outputtemplate:="%j-%3c."&outputformat; fi +%--default outputtemplate:="%j-%3c."&"svg"------------------------------------------------ +if outputformat="svg": outputtemplate:="s%3c-%{EN_}.svg"; +ef outputformat="png": outputtemplate:="p%3c-%{EN_}.png"; +ef (outputformat="eps")and(ahangle=3): outputtemplate:="%j-%3c.mps"; +else: outputtemplate:="%j-%3c."&outputformat; fi %----------------------------------------------------------------------------------------- if sw_output>=Info: message "* jobname="&jobname; message "* numbersystem="&numbersystem; @@ -119,11 +118,9 @@ if sw_output>=Info: message "* library file name="&jobname&"-lib.aux"; ef ahlength=5: message "* output MOL file(V2000)"; message "* "&jobname&"-nnn-"&"inf_EN"&".mol"; ef ahlength=6: message "* output MOL file(V3000)"; message "* "&jobname&"-nnn-"&"inf_EN"&".mol"; - ef ahlength=7: message "* output report file"; message "* file name="&jobname&"-report.txt"; fi - message "* outputformat="&outputformat; - if outputformat="png": message "* hppp="&decimal(hppp)&"/vppp="&decimal(vppp); fi - message "* outputtemplate="&outputtemplate; - message "* atomfont="&atomfont; message "* defaultfont="&defaultfont; fi + ef ahlength=7: message "* output report file"; message "* file name="&jobname&"-report.txt"; + fi +fi clearit; %-------------------------------------------------------------------------------------------------- ?3:=?20:=Ph:=Ph1:=Ph2:=hz:=0; vt:=1; |