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authorKarl Berry <karl@freefriends.org>2016-06-11 23:05:59 +0000
committerKarl Berry <karl@freefriends.org>2016-06-11 23:05:59 +0000
commit9e59fe5cbd2d8d2eb3abb95254ead13c5334bad2 (patch)
tree8878735ff8b9329fff8cf7b1f7f34715e43dbc68 /Master/texmf-dist/doc/metapost/mcf2graph
parent758b4758f0eb106984f66779738565d97ee91f7d (diff)
mcf2graph (11jun16)
git-svn-id: svn://tug.org/texlive/trunk@41368 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master/texmf-dist/doc/metapost/mcf2graph')
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG6
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/README2
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf2
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdfbin247968 -> 247636 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex2
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf30
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdfbin433021 -> 426995 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex137
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdfbin123911 -> 123318 bytes
9 files changed, 98 insertions, 81 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 622e67bbbd7..5586ae2bc29 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 2016-05-05
+ Changelog of mcf2graph software package by Akira Yamaji 2016-06-11
*******************************************************************************
+[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
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 11b882c6bb8..92cf4e33a79 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 : 3.92 2016-05-05
+ version : 3.93 2016-06-11
E-mail : mcf2graph@gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
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 74092f1aaac..37cd29c3e08 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2016.04.28
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2016.04.28
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
input mcf2graph.mf;
%-------------------------------------------------------------------------
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 53f0ecd4cba..7b98250d82a 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
index 9a17eac7008..5ebaf163b5c 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2016.4.28
+% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2016.4.28
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage{graphicx}
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 f9bc1784425..7669ddb210e 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -14,13 +14,13 @@ sw_start_vector:=0;
%%%%%sw_checklist:=1;
%***********************************************************************
beginfont("NO:1","EN:Chlorophyll a","MW:893.49","FM:C55H72MgN4O5")
- font_wd#:=100mm#;
- font_ht#:=35mm#;
+ font_wd#:=80mm#;
+ font_ht#:=30mm#;
MCf(<54,
- {,``1,?5,$(2,5)d,4:N,3\,54~dl,|,?5,$(2,4)d,5:N,
- -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,&#5,
- -1*,24,/*COOMe^15,72,//O,&#1,},
+ {,``1,?5,3\,54,?5,-2\,54,?5,-2\,54,,?5,-2\,&5,
+ -1*,24,/*COOMe^15,72,//O,&1,},
4\`1.48,Mg,&17,-1*,&11~vb,-1*,&23~vb,
+ $(2,5,7,9,11,14,16,20,26,27)dl,@(4,11,17,23)N,
@(2,9,15,20~zf)/Me,8:/Et,14\,!~dr,
21*,-6~wf,!2,//O,!,O,!2,!~dl,|,!13,@(1,5,9,13)/Me,
)
@@ -28,16 +28,22 @@ endfont
%***********************************************************************
beginfont("EN:Chain 1")
sw_numberB:=1;
+ numberB_end:=6;
max_bond_width:=0.20;
ratio_chain_ring:=1;
- MCf(<30,-60,60,-90,120,-90,60)
+ MCf(<30,-60,60,-90,120,-90,60,
+ @(1^-60,2^60,3^-45,4^30,5^-45,6^60)/Me~dt`.6
+ )
endfont
%***********************************************************************
beginfont("EN:Chain 2")
sw_numberB:=1;
+ numberB_end:=6;
max_bond_width:=0.20;
ratio_chain_ring:=1;
- MCf(<30,!6)
+ MCf(<30,!6,
+ @(1^-60,2^60,3^-60,4^60,5^-60,6^60)/Me~dt`.6
+ )
endfont
%***********************************************************************
beginfont("EN:Jump and Branch")
@@ -92,14 +98,14 @@ beginfont("EN:change bond length2")
MCf(<30,!2,``1.2,!4)
endfont
%***********************************************************************
-beginfont("EN:change bond length3")
+beginfont("EN:change ring length")
sw_start_vector:=1;
- MCf(<30,?6,3\,?6`1.2,11=?6)
+ MCf(?6,4\,?6`1.2,5=?6,11=?6)
endfont
%***********************************************************************
beginfont("EN:change atom 1")
sw_start_vector:=1;
- MCf(<30,!2,O,!2)
+ MCf(<30,!2,O,!2,N,!2)
endfont
%***********************************************************************
beginfont("EN:change atom 2")
@@ -434,7 +440,9 @@ beginfont("EN:Switwch start vector")
endfont
%***********************************************************************
beginfont("EN:Switwch font frame")
- sw_font_frame:=1;
+ margin_left_right:=5mm;
+ margin_top_bottom:=2mm;
+ sw_font_frame:=3;
MCf(<30,Ph,4:/Cl,3:/F)
endfont
%***********************************************************************
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index 83e900a626c..a15a1d5888b 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index eee609e165e..bea273959d1 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2016.05.05
+% Molecular Coding Format manual by Akira Yamaji 2016.06.11
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage[dvipdfmx]{graphicx}
@@ -29,10 +29,11 @@
\rlap{\makebox(72,4)[t]{\makebox(68,48){\@strufont\char\fontnum}}}%
\advance\fontnum\@ne\relax}%
\def\MCFstructure{%
- \makebox(72,4)[t]{\frame{\makebox(68,48){\@strufont\char\fontnum}}}%
+ \makebox(72,4)[t]{\frame{\
+ \makebox(68,48){\@strufont\char\fontnum}}}%
\advance\fontnum\@ne\relax\advance\tempnum\@ne\relax}%
%--------------------------------------------------------------------
-\def\@F{F}\def\@C{C}\def\@EN{EN}\def\@NO{NO}\def\@MW{MW}\def\@cFM{cFM}%
+\def\@F{F}\def\@C{C}\def\@EN{EN}\def\@NO{NO}\def\@cMW{cMW}\def\@cFM{cFM}%
\def\@fst#1:#2;{#1}\def\@sec#1:#2;{#2}%
\def\mol@sel#1{%
\if#1\empty\relax\else%
@@ -42,15 +43,15 @@
\ifx\@tag\@C\edef\MOLchar{\@var}\fi%
\ifx\@tag\@EN\edef\MOLnameE{\@var}\fi%
\ifx\@tag\@NO\edef\MOLnum{\@var}\fi
- \ifx\@tag\@MW\edef\MOLmw{\@var}\fi
+ \ifx\@tag\@cMW\edef\CALmw{\@var}\fi
\ifx\@tag\@cFM\edef\CALfm{\@var}\fi
\fi}%
\def\put@char{%
- \begin{picture}(120,40)%
- \put(10,35){\bf [\MOLnum] \MOLnameE}%
- \put(16,30){\tt MW:\MOLmw}%
- \put(16,25){\tt FM:\CALfm}%
- \put(0,0){\font\@strufont=\MOLfile\relax%
+ \begin{picture}(120,42)%
+ \put(0,35){\bf [\MOLnum] \MOLnameE}%
+ \put(6,30){\tt MW:\CALmw}%
+ \put(6,25){\tt FM:\CALfm}%
+ \put(40,0){\font\@strufont=\MOLfile\relax%
\hbox{\@strufont\char\MOLchar}}%
\end{picture}%
}
@@ -88,55 +89,47 @@ font_wd#:=60mm#; % font width >
font_ht#:=40mm#; % font height >
var3:="cal_MW"; tag3:="cMW"; > AUX file table
var4:="cal_FM"; tag4:="cFM"; >
-%%%% var5:="len_x"; tag5:="Lx"; >
-%%%% var6:="len_y"; tag6:="Ly"; >
-%%%% sw_auxfix:=1; % fixed aux file > fixed AUX file
-%%%% auxtag_out; % tag list output >
outputformat:="png"; hppp:=vppp:=0.1; > PNG output
-%%%% outputformat:="svg"; > SVG 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 >
- %-----------------------------------------------------------------------
- MCf( % begin MCF
- <54,{,``1,?5,$(2,5)d,4:N,3\,54~dl, %
- |,?5,$(2,4)d,5:N, %
- -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54, %
- |,?5,5=d,5:N,-2\~dl,&#5, %
- -1*,24,/*COOMe^15,72,//O,&#1,}, %
- 4\`1.48,Mg,&17,-1*,&11~vb,-1*,&23~vb, %
- @(2,9,15,20~zf)/Me,8:/Et,14\,!~dr, %
- 21*,-6~wf,!2,//O,!,O,!2,!~dl, %
- |,!13,@(1,5,9,13)/Me, %
- ) % end MCF
-endfont % end font
+beginfont("NO:1","EN:Ampicillin") > begin font(information)
+ MCf(<45,?4,2:N,2=?5,-1:S, > begin MCF (1)
+ @(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18, >
+ @(6^35,6^-35)/Me, >
+ 4\^75,NH,!,//O,!,NH,!,Ph) > end MCF
+endfont > end font
+%------------------------------------------------------------------------
+beginfont("NO:2","EN:Cholesterol") > begin font(information)
+ MCf(<30,?6,$(-4,-2)?6,-4=?5,7=dl, > begin MCF (2)
+ 1:*/OH,@(4,12)*/Me^60,9:*/H^60, >
+ 10:/*H^180,@(11,-1)/*H^-60, >
+ -1\^17,/*Me,!4,/Me,!) > end MCF
+endfont > end font
%------------------------------------------------------------------------
bye
\end{verbatim}
%----------------------------------------------------------------------------
-{\bf (Molecular structure diagram output)}\\
- \makebox(120,30){\@strufont\char0}\\
-%----------------------------------------------------------------------------
\noindent%
{\bf (Molecular information output)}\\
'filename'-info.aux : for use in \TeX, it takes over filename,
char number, molecular information,etc.
\begin{verbatim}
(sw_auxfix=0)
-F:mcf_man_soc;C:0;cMW:893.48962;cFM:C55H72MgN4O5;NO:1;EN:Chlorophyll a;MW:893.49
+F:mcf_man_soc;C:85;cMW:335.37805;cFM:C15H17N3O4S;EN:Ampicillin
+F:mcf_man_soc;C:86;cMW:386.6532;cFM:C27H46O;EN:Cholesterol
+ .....................................................
(sw_auxfix=1)
-F;C;cMW;cFM;NO;EN;MW
-mcf_man_soc;0;893.48962;C55H72MgN4O5;1;Chlorophyll a;893.49
-\end{verbatim}
-( tag : variable )\\
-F:filename C:char number,cMW:molecular weight calculated,
-cFM:molecular formula calculated\\
-NO:serial number, EN:english name,
-MW:molecular weight from literature data\vspace{5mm}\\
+F;C;cMW;cFM;EN
+mcf_man_soc;85;335.37805;C15H17N3O4S;Ampicillin
+mcf_man_soc;86;386.6532;C27H46O;Cholesterol
+ ......................................
+
+( tag : variable )
+F : filename C : char number NO : serial number EN : english name
+cMW : molecular weight calculated cFM : molecular formula calculated
+MW : molecular weight from literature data
+\end{verbatim}
%----------------------------------------------------------------------------
{\bf (LaTeX file example)}
%############################################################################
@@ -157,15 +150,15 @@ MW:molecular weight from literature data\vspace{5mm}\\
\ifx\@tag\@C\edef\MOLchar{\@var}\fi%
\ifx\@tag\@EN\edef\MOLnameE{\@var}\fi%
\ifx\@tag\@NO\edef\MOLnum{\@var}\fi
- \ifx\@tag\@MW\edef\MOLmw{\@var}\fi
+ \ifx\@tag\@MW\edef\CALmw{\@var}\fi
\ifx\@tag\@FMc\edef\CALfm{\@var}\fi
\fi}%
\def\put@char{%
\begin{picture}(120,45)%
\put(10,35){\bf [\MOLnum] \MOLnameE}%
- \put(16,30){\sf MW:\MOLmw}%
+ \put(16,30){\sf MW:\CALmw}%
\put(16,25){\sf FM:\CALfm}%
- \put(0,0){\font\@strufont=\MOLfile\relax%
+ \put(20,0){\font\@strufont=\MOLfile\relax%
\hbox{\@strufont\char\MOLchar}}%
\end{picture}}%
\def\INFO#1{\@for\@temp:=#1\do{\mol@sel\@temp}\put@char}%
@@ -173,14 +166,15 @@ MW:molecular weight from literature data\vspace{5mm}\\
%--------------------------------------------------------------------
\begin{document}
\unitlength=1mm%
-\INFO{F:mcf_man_soc ,C:0 ,cMW:893.48962 ,cFM:C55H72MgN4O5%
- ,NO:1 ,EN:Chlorophyll a ,MW:893.49}%
+\INFO{F:mcf_man_soc,C:85,NO:1,cMW:335.37805,cFM:C15H17N3O4S,EN:Ampicillin}\\%
+\INFO{F:mcf_man_soc,C:86,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
\end{document}
%--------------------------------------------------------------------
-\end{verbatim}%
+\end{verbatim}\vspace{5mm}%
%############################################################################
-\INFO{F:mcf_man_soc ,C:0 ,cMW:893.48962 ,cFM:C55H72MgN4O5%
- ,NO:1 ,EN:Chlorophyll a ,MW:893.49}%
+{\bf (Molecular structure output)}\\
+\INFO{F:mcf_man_soc,C:85,NO:1,cMW:335.37805,cFM:C15H17N3O4S,EN:Ampicillin}\\%
+\INFO{F:mcf_man_soc,C:86,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
\newpage
%----------------------------------------------------------------------------
\noindent
@@ -188,10 +182,10 @@ MW:molecular weight from literature data\vspace{5mm}\\
\begin{minipage}[t][\htman]{90mm}
\MCFtitle{Chain(1)}
\begin{verbatim}
-plus (+): anticlockwize
-minus(-): clockwize
+real number plus (+): anticlockwize
+real number minus(-): clockwize
- <30,-60,60,-90,120,-90,60
+<30,-60,60,-90,120,-90,60
\end{verbatim}
\end{minipage}
@@ -231,9 +225,9 @@ minus(-): clockwize
\begin{minipage}[t][\htman]{90mm}
\MCFtitle{Connect atom}
\begin{verbatim}
-&5 : Connect to A5
+&n : Connect to An
- <30,!6,3\,!.&5
+ <30,!6,3\,!,&5
\end{verbatim}
\end{minipage}
@@ -273,7 +267,7 @@ a~type : ~~type,a
dm:double middle,
dl:double left side, dr:double right side,
wf:wedge forward, wb:wedge backward,
-zf:wedge dotted, zb:wedge dotted backward
+zf:wedge dotted, zb:wedge dotted backward
<30,!~dm,!~dl,!~dr,!~wf,!~wb,!~zf,!~zb
\end{verbatim}
@@ -343,7 +337,10 @@ $(2,4)dr : 2=dr,4=dr
\begin{verbatim}
?n`length : change ring length
- <30,?6,3\,?6`1.2,11=?6
+ ?6,4\,?6`1.2,5=?6,11=?6
+
+** fused ring size depend on
+ attached bond length
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -354,7 +351,7 @@ $(2,4)dr : 2=dr,4=dr
\begin{verbatim}
Insert hetero atom
- <30,!2,O,!2
+ <30,!2,O,!2,N,!2
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -511,7 +508,8 @@ MCf(<30,!8,2\,!,4*\,!,6\*,!,8\\,!)
4\`1.5 : 4*,0`1.5
6\^15 : 6*,0^15
-MCf(<-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60)
+MCf(<-30,
+ !6,2\~dr,!,4\`1.5,!,6\^15,-60)
\end{verbatim}
\end{minipage}
@@ -524,7 +522,8 @@ MCf(<-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60)
MCf(<30,
!,/Me,!,/Et,!3,/Pr,!,/iPr,!3,/tBu,!,/Ph^-30,!)
-** Me:methyl Et:ethyl Pr:propyl iPr:isopropyl
+** Me:methyl Et:ethyl
+ Pr:propyl iPr:isopropyl
tBu:tertial buthyl Ph:phenyl
\end{verbatim}
\end{minipage}
@@ -549,8 +548,10 @@ MCf(<30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,!)
\begin{minipage}[t][\htman]{90mm}
\MCFtitle{Insert substituent(3)}
\begin{verbatim}
-~,^,`,> : change type,angle,length,enviroment
- of substituent
+~ : change type
+^ : change angle
+` : change length
+> : change enviroment
MCf(<30,``1,
!,/Me~zf`2^30,!,/Me~zf`2^30,
@@ -1040,10 +1041,14 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2)
\begin{minipage}[t][\htman]{90mm}
\MCFtitle{Switch font frame}
\begin{verbatim}
- sw_font_frame:=1;
- MCf(<30,Ph,4:/Cl,3:/F)
+sw_font_frame=0 : no frame **default
+sw_font_frame=1 : draw frame of font
+sw_font_frame=2 : draw frame inside margin
+sw_font_frame=3 : draw both
- ** default: sw_font_frame=0
+sw_font_frame:=3;
+margin_left_right:=5mm; margin_top_bottom:=2mm;
+MCf(<30,Ph,4:/Cl,3:/F)
\end{verbatim}
\end{minipage}
\MCFstructure
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
index b3efc121b06..78621de0881 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
Binary files differ