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|
*******************************************************************************
Changelog of mcf2graph software package by Akira Yamaji 2022-11-06
*******************************************************************************
[ver. 4.89 / 2022-11-06]
-change syntax of fused ring
(a,b)=?n => {a--b}=?n
{(a,b), ..}=?n => {a--b, ..}=?n
{(a',b), ..}=?n => {a---b, ..}=?n
{(a',b'), ..}=?n => {a----b, ..}=?n
-fix bug in MOL(V3000) file output
-update MCF manual,example
-update mcf_library.mcf
[ver. 4.88 / 2022-10-10]
-change format of mcf_library.mcf
-update MCF manual,example
-update mcf_library.mcf
[ver. 4.87 / 2022-08-22]
-change format of mcf_library.mcf
-change output file name
-update MCF manual,example
[ver. 4.86 / 2022-07-18]
-fix bug in function mc_query()
-update mcf_library.mcf
[ver. 4.85 / 2022-06-12]
-fix bug in function mc_query()
-update mcf_library.mcf
-update MCF manual
[ver. 4.84 / 2022-05-08]
-fix bug in atom drawing
-improve report output
-update mcf_library.mcf
[ver. 4.83 / 2022-03-27]
-fix bug in bond check
-change fuction name
check() => mc_check()
query() => mc_query()
-improve report output
-update mcf_library.mcf
-update MCF manual
[ver. 4.82 / 2022-03-13]
-add new example file
mcf_exa_code.tex (example include code)
mcf_exa_code.pdf
-change file name
mf_data_base.mcf => mcf_library.mcf
-update mcf2graph.mp
-update mcf_library.mcf
-update MCF example
[ver. 4.81 / 2022-02-27]
-update mcf2graph.mp
-update MCF manual
[ver. 4.80 / 2022-02-20]
-update mcf2graph.mp
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.79 / 2022-01-22]
-fix bug in numbering atom,bond
[ver. 4.78 / 2022-01-17]
-from this version use MetaPost only
-change file name
mcf2graph.mf => mcf2graph.mp
mcf_exa_soc.mf => mcf_exa_soc.mp
mcf_man_soc.mf => mcf_exa_soc.mp
-change function name
beginfont => beginfigm
endfont => endfigm
-delete style file mcf_setup.sty
-update mcf_example.tex
typeset with LuaLaTeX
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.77 / 2022-01-02]
-change syntax of add group
{a'}:*/_ : {a}:/*_
{a'}:/*_ : {a}:*/_
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.76 / 2022-12-20]
-change syntax of bond type
{a<}=dl => {a'}=dr
{a<}=dr => {a'}=dl
-change syntax of fused ring
{(a<,b)}=?6 => (a',b)=?6
{(a<,b)}=?5 => (a',b)=?5
{(a<,b<)}=?6 => (a',b')=?6
-change syntax of serial number'
{a--b} => {a:b}
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.75 / 2022-12-12]
-change syntax of bond type
{a<}=dl : {a}=dr
{a<}=dr : {a}=dl
-change syntax of fused ring
{(a<,b)}=?6 : (a,b)=?6[3]
{(a<,b)}=?5 : (a,b)=?5[2]
{(a<,b<)}=?6 : (a,b)=?6[2]
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.74 / 2021-11-23]
-change syntax of fused ring
(a,b)=?6[4] => (a,b)=?6
(a,b)=?5[3] => (a,b)=?5
(a,b)=?4[2] => (a,b)=?4
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.73 / 2021-10-10]
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.72 / 2021-09-20]
-change syntax of beginfont()
keep file open 'f+' => 'v+'
enable to use default input file name
-change syntax of query()
input file name 'i:' => 'f:'
-fix bug in beginfont(),endfont
-fix bug in query()
-fix bug in expand mode
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.71 / 2021-09-05]
-add function query() for data base file
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.70 / 2021-08-01]
-change syntax of @(x,y)
@(x,y) : Move (x,y) from current position
@$(x,y) : Move (x,y) from origin(@1)
-add bond type for glycan
arc_lb : arc left > bottom
arc_br : arc bottom > right
arc_lbr : arc left > bottom > right
arc_ltr : arc left > top > right
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.69 / 2021-07-18]
-add bond type wf_r,wb_r,bd_r for steric ring
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.68 / 2021-06-28]
-fix bug in data base file handling
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.67 / 2021-06-13]
-fix bug in bond color
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.66 / 2021-06-06]
-add binary operator in {...}
{ a -- b , ...} : { a,a+1,...,b , ...} (a<b)
-change option parameters
sw_numberA=1 => sw_numbering=Atom
sw_numberA=2 => sw_numbering=Atom+Brock
sw_numberA=3 => sw_numbering=Atom+Inverse
sw_numberB=1 => sw_numbering=Bond
sw_numberB=2 => sw_numbering=Bond+Brock
sw_numberB=3 => sw_numbering=Bond+Inverse
sw_fframe=1 => sw_frame=Outside
sw_fframe=2 => sw_frame=Inside
sw_fframe=3 => sw_frame=Outside+Inside=Bothside
sw_aframe=1 => sw_frame=sw_frame+Atom
sw_mframe=1 => sw_frame=sw_frame+Mol
numberA_start,numberB_start => numbering_start
numberA_end,numberB_end => numbering_end
Info1 => Info
Info2 => Info+Table
Info_t => Info+Temp
Mcode_t => Mcode+Temp
Report_t => Report+Temp
None_Info_t => Font+Info+Temp
None_Mcode_t => Font+Mcode+Temp
None_Report_t => Font+Report+Temp
None_Info_Mcode_t => Font+Info+Mcode+Temp
-delete option parameters
sw_numberA,sw_numberB,numberA_start,numberA_end,
numberB_start,numberB_end,
sw_fframe,sw_aframe,sw_mframe
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.65 / 2021-05-23]
-add parameter for sw_output
None_Info_t : output font,'temp-info.aux'
None_Mcode_t : output font,'temp-mc.aux'
None_Report_t : output font,'temp-report.aux'
None_Info_Mcode_t :
output font,'temp-info.aux','temp-mc.aux'
-update mcf_data_base.mcf
-update MCF manual,example
[ver. 4.64 / 2021-05-05]
-add parameter for sw_output
Mcode : output MCF aux files
Mcode_t : output 'temp-mc.aux'
Info_t : output 'temp-info.aux'
-update MCF manual,example
[ver. 4.63 / 2021-04-18]
-add option parameter sw_output
sw_calc =1 => sw_output=None
sw_aux_out=1 => sw_output=Info1
sw_aux_out=2 => sw_output=Info2
sw_rep_out=1 => sw_output=Report
sw_mol_out=1 => sw_output=MOL2k
sw_mol_out=2 => sw_output=MOL3k
-delete option parameters
sw_calc,sw_aux_out,sw_rep_out,sw_mol_out,
sw_file_open
-change molecular data base format
end MCF : "-" => "+"
-update MCF manual,example
[ver. 4.62 / 2021-04-04]
-add molecular data base file
'mcf_data_base.mcf'
-improve function beginfont()
able to use molecular data base file
-add option parameter sw_file_open
-improve function check()
-update MCF manual,example
[ver. 4.61 / 2021-03-21]
-change syntax
@.$n => @$n
&.$n => &$n
-change function name
check_mc() => check()
-improve function check()
-update MCF manual,example
[ver. 4.60 / 2021-03-07]
-$n (0<=n<360) can use as absolute angle
-change option parameter name
ratio_zebragap_bond => ratio_hashgap_bond
offset_zebra_gap => offset_hash_gap
-improve function check_mc()
-update MCF manual,example
pk font => eps(mps) file
[ver. 4.59 / 2021-02-28]
-add command @(x,y) : move to (x,y)
-improve function check_mc()
-improve report output
-delete option parameter sw_indent_off
-update MCF manual,example
[ver. 4.58 / 2021-02-21]
-change syntax
"+" => p_
"-" => n_
-add function check_mc()
-update MCF manual,example
[ver. 4.57 / 2021-02-11]
-change syntax
n:@ => @n
n:# => &n
&"+" => "+"
&"-" => "-"
|=n => #n
=| => ##
-delete command ``
-delete command a@#b
-delete command A[1],A[-1]
-delete bond type d,w,z
-fix bug in MOL file output
-update MCF manual,example
[ver. 4.56 / 2021-01-31]
-fix bug in molecular weight calculation
-fix bug in report output
-fix bug in MOL file output
-improve parts definition
-improve global ext() setting
-update MCF manual,example
[ver. 4.55 / 2021-01-03]
-fix bug in molecular weight calculation
-fix bug in charged atom calculation
-add commands
?! : /_,!
?? : /_^35,/_-35
/?! : isopropyl
/??! : tert-butyl
-change syntax
/N!_ => /N?! : dimethylamino
-update MCF manual,example
[ver. 4.54 / 2020-12-12]
-fix bug in report output
-update MCF manual,example
[ver. 4.53 / 2020-11-03]
-improve inline definition
-update MCF manual(add index),example
[ver. 4.52 / 2020-08-30]
-improve aux file output,input
-update MCF manual,example
[ver. 4.51 / 2020-08-10]
-improve aux file output,input
-add style file mcf_setup.sty
-update MCF manual,example
[ver. 4.50 / 2020-07-26]
-fix bug in function add()
-delete file mcf_man_soc-064.mps
-update MCF manual,example
[ver. 4.49 / 2020-07-09]
-improve command !,!n
-delete command !0
-improve function ext()
-add command
ext_clear: reset global ext()
-fix bug in environment setting
-update MCF manual,example
[ver. 4.48 / 2020-01-26]
-add command a@#b : a:@,b:#
-update MCF manual
[ver. 4.47 / 2019-12-15]
-fix bug in fused ring
-change option parameter name
sw_subst_off => sw_group_off
-update MCF manual
[ver. 4.46 / 2019-12-08]
-miner update mcf2graph.mf
-update MCF manual
[ver. 4.45 / 2019-10-05]
-improve function ext()
-delete option parameter sw_auxfix
sw_auxfix=1 => sw_aux_out=2
-update MCF manual,example
[ver. 4.44 / 2019-07-07]
-improve to ignore unknown command
[ver. 4.43 / 2019-06-23]
-add binary operator for add()
a << b : a rotated b
-improve embedded font
-update MCF manual
[ver. 4.42 / 2019-05-26]
-add function for add()
plus : circled plus
minus : circled minus
lonepair : lonepair
-add binary operator for add()
a ** b : a scaled b
a /* b : point of b scaled a
-add variable for add()
A[n]up : dir An
A[n]left : dir An+90
A[n]right : dir An-90
A[n]down : dir An+180
B[n]up : dir Bn
B[n]left : dir Bn+90
B[n]right : dir Bn-90
B[n]down : dir Bn+180
-change variable for add()
A[n]dir => A[n]ang
A[n]ang : angle of An
B[n] => Bm[n]
B[n] : bond position => path
-improve label emulation
-update MCF manual
[ver. 4.41 / 2019-05-11]
-change syntax
|<=,=>| => |=,=|
ext() => add()
EXT() => ext()
-update MCF manual
[ver. 4.40 / 2019-03-21]
-add function MC()
-change function name MCa() => MCat()
-delete function MCc(),MCd(),MCf()
-add angle parameter mangle
-add size parameter
thickness_mframe
-change size parameter name
bond_len => blength
max_bond_length => max_blength
font_wd,font_ht => fsize(w,h)
margin_left_right,margin_top_bottom
=> fmargin(w,h)
thickness_font_frame => thickness_fframe
thickness_atom_frame => thickness_aframe
-delete ratio parameter ratio_bond_width
-delete option parameter sw_solid
-change option parameter name
sw_clip => sw_trimming
sw_bond_single => sw_single
sw_fomt_frame => sw_fframe
sw_mol_frame => sw_mframe
sw_atom_frame => sw_aframe
-update MCF manual
[ver. 4.36 / 2019-02-11]
-fix bug in draw atom,draw bond
-delete size parameter atomfontsize
-update MCF manual
[ver. 4.35 / 2019-01-03]
-fix bug in numbering bond
-update MCF manual
[ver. 4.34 / 2018-11-11]
-change default driver(graphicx,hyperref)
dvipdfmx => pdftex
-change file name
mcf_man_soc-064.eps => mcf_man_soc-064.mps
-change command-line parameter settings
-change option parameter name
sw_report => sw_rep_out
-update MCF manual
[ver. 4.33 / 2018-06-18]
-change syntax n:&
n:& => n:#
-add command &"c"
-update MCF manual and examples
[ver. 4.32 / 2018-06-03]
-add commands C[],N[],O[],S[]
X[1] : "{X^+^}"
X[-1] : "{X^-^}"
-change option parameter name
sw_MOLout => sw_mol_out
sw_auxout => sw_aux_out
-improve MOL file output
sw_mol_out=0 : no MOL file
sw_mol_out=1 : MOL file V2000
sw_mol_out=2 : MOL file V3000
-update MCF manual and examples
[ver. 4.31 / 2018-04-16]
-add command */*n , n:*\* , |<=n
*/*n : /n~wv
n:*\* : n:\~wv
|<=n : |<,``n
-update MCF manual and examples
[ver. 4.30 / 2018-01-03]
-change syntax &n
&n => n:&
-improve address error detection
-improve expand mode
-update MCF manual and examples
[ver. 4.29 / 2017-10-29]
-miner update mcf2graph.mf
[ver. 4.28 / 2017-09-15]
-change syntax #n
#n => $n
-update MCF syntax manual
[ver. 4.27 / 2017-09-03]
-improve function ext(),EXT()
-update MCF syntax manual
[ver. 4.26 / 2017-08-13]
-improve label emulation
-update MCF syntax manual
[ver. 4.25 / 2017-07-23]
-improve label,arrow emulation
-change variable name
Bs[] => B[]s
Be[] => B[]e
B[]ang => B[]dir
A[]bra => B[]dir
-update MCF syntax manual
[ver. 4.24 / 2017-07-17]
-atom font can be changed
-update MCF syntax manual
[ver. 4.23 / 2017-06-04]
-change syntax n*,n\
n* => n:@
n\ => n:\
-update MCF syntax manual
[ver. 4.22 / 2017-05-27]
-change syntax @(),$()
@(a,b,...)c => {a,b,...}:c
$(a,b,...)c => {a,b,...}=c
-improve function ext()
add variable Bs[],Be[]
-update MCF syntax manual
[ver. 4.21 / 2017-05-03]
-change brock making commands
'{','}' => '|<','>|'
-improve report output
-update MCF syntax manual
[ver. 4.20 / 2017-03-26]
-change length expression
length# => length
-add emulation commands
dotlabel,drawarrow,drawdblarrow
-add function MCa(),MCc()
-delete function draw_vector()
-update MCF syntax manual
[ver. 4.11 / 2017-03-06]
-improve function EXT(),ext()
-update MCF syntax manual
[ver. 4.10 / 2017-02-13]
-improve function EXT(),ext()
-update MCF syntax manual
[ver. 4.09 / 2017-01-29]
-add new function puts()
put string in EXT(),ext()
-add new function use_font()
make font for puts()
-change option parameter name
sw_checklist => sw_report
-update MCF syntax manual
[ver. 4.08 / 2017-01-15]
-add monoisotopic mass calculation
-update MCF syntax manual
[ver. 4.07 / 2017-01-09]
-add new command '!!' : '!~db'
-add new command '!!!' : '!~tm'
-add new substituent '/_' : '/Me'
-improve molecular weight calculation
-update MCF syntax manual
[ver. 4.06 / 2017-01-03]
-miner update
-corrected molecular examples
-update MCF syntax manual
[ver. 4.05 / 2016-11-15]
-improve molecular checklist
-update MCF syntax manual
[ver. 4.04 / 2016-11-05]
-improve clipping mode
-update MCF syntax manual
[ver. 4.03 / 2016-11-03]
-miner update
-update MCF syntax manual
[ver. 4.02 / 2016-10-30]
-add function EXT(),ext()
-delete option parameter sw_start_vector
-update MCF syntax manual
[ver. 4.01 / 2016-10-23]
-many fixes for robustness
-update MCF syntax manual
[ver. 4.00 / 2016-10-19]
-change solid mode parameter
1:solid ratio,2:solid length
-update MCF syntax manual
[ver. 3.99 / 2016-10-14]
-miner update
-update MCF syntax manual
fixed page number of contents
[ver. 3.98 / 2016-10-10]
-add option parameter sw_clip (clipping font)
-add max_bond_length , delete max_bond_width
-update MCF syntax manual
[ver. 3.97 / 2016-08-21]
-change bond type name 'ov' to 'si_'
-add bond type 'wf_','wb_','bd_'
-update MCF syntax manual
[ver. 3.96 / 2016-08-06]
-large scaled rings can fuse
5,6,7,8 membered ring scaled 11/10,12/10,13/10,14/10,15/10
-update MCF syntax manual
[ver. 3.95 / 2016-07-10]
-improve bond type 'ov'
-update MCF syntax manual and example
[ver. 3.94 / 2016-06-19]
-set maximum ratio atom size / bond length to 0.8
for avoid error when font size is very small
[ver. 3.93 / 2016-06-11]
-improve font frame
-update MCF syntax manual
[ver. 3.92 / 2016-05-05]
-miner update
-update MCF syntax manual
[ver. 3.91 / 2016-05-01]
-add information tag and var for fixed aux file
-update MCF syntax manual
[ver. 3.90 / 2016-04-28]
-add parameter 'sw_auxfix'
fixed aux information format is added
It is easy to use with spreadsheet software
[ver. 3.89 / 2016-04-10]
-add new bond type bz (broad dotted)
[ver. 3.88 / 2016-04-06]
-rename variable 'aux_separater' => 'aux_delimiter'
[ver. 3.87 / 2016-04-04]
-change aux information delimiter(, => ;)
a lot of molecular name include ','
[ver. 3.86 / 2016-04-02]
-change aux output format(command => csv)
-update MCF syntax manual
[ver. 3.85 / 2016-03-24]
-change aux output control
-update MCF syntax manual
[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
sw_MOLfile => sw_MOLout
-update MCF syntax manual
[ver. 3.82 / 2016-02-14]
-add new commands ~~,^^,'`,:>
-update MCF syntax manual
[ver. 3.81 / 2016-02-11]
-add parameter sw_subst_off,sw_bond_single
-delete constant _skeltonA_end
-update MCF syntax manual
[ver. 3.80 / 2016-02-06]
add new command || , divide CHANGELOG from README
change e-mail address
[ver. 3.78 / 2016-01-16]
update MCF syntax manual and MCF luamplib example
[ver. 3.76 / 2015-11-28]
update MCF syntax manual and MCF example
[ver. 3.75 / 2015-10-17]
fix bug in command **
[ver. 3.74 / 2015-10-03]
improve bond infomation of checklist
[ver. 3.72 / 2015-09-22]
change command ^^ to < and delete ^^
[ver. 3.71 / 2015-09-18]
delete command !!,??
[ver. 3.70 / 2015-09-16]
add new command | ,change syntax of !,!!,?,??
[ver. 3.63 / 2015-09-14]
add command option of numbering address,update MCF syntax manual
[ver. 3.62 / 2015-09-07]
improve numbering bond, numbering atom, update MCF syntax manual
[ver. 3.61 / 2015-09-01]
fix bug in local setting of font_wd# and font_ht#
[ver. 3.59 / 2015-08-23]
update MCF syntax manual
[ver. 3.58 / 2015-08-18]
improve calculation of molecular formula and weight
[ver. 3.57 / 2015-08-14]
improve AUX file format
[ver. 3.55 / 2015-08-04]
support luamplib(v2.11), renew mcf_mplib_exa.tex
[ver. 3.54 / 2015-08-03]
maximum item number of MOLinfo can be changed
[ver. 3.53 / 2015-07-29]
support luamplib(LuaLaTeX)
[ver. 3.52 / 2015-07-20]
'!!4`2' can use as '{,``2,!4,}'
[ver. 3.51 / 2015-07-19]
'?6`2' can use as '{,``2,?6,}'
[ver. 3.50 / 2015-07-11]
first version uploaded to ctan.
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