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authorMarius <mariausol@gmail.com>2012-11-29 17:00:15 +0200
committerMarius <mariausol@gmail.com>2012-11-29 17:00:15 +0200
commit5855e0bf17f2657517a87581aa1f02af0f78b020 (patch)
tree4eaf2e77fffdf58fa993b942f82d5f217a28ba9d /metapost
parent20cc4cdb29f371917fc6100ee07dada22187e260 (diff)
downloadcontext-5855e0bf17f2657517a87581aa1f02af0f78b020.tar.gz
beta 2012.11.29 15:40
Diffstat (limited to 'metapost')
-rw-r--r--metapost/context/base/mp-chem.mpiv1037
-rw-r--r--metapost/context/base/mp-mlib.mpiv12
2 files changed, 483 insertions, 566 deletions
diff --git a/metapost/context/base/mp-chem.mpiv b/metapost/context/base/mp-chem.mpiv
index e80f5e0c4..03dd63ae8 100644
--- a/metapost/context/base/mp-chem.mpiv
+++ b/metapost/context/base/mp-chem.mpiv
@@ -13,19 +13,6 @@
%D This module is incomplete and experimental.
-% we can use this in quite some places:
-
-% vardef test(expr first,last,pth,trf,lin,col) =
-% for i=first upto last :
-% draw pth
-% chem_transformed(trf)
-% dashed evenly
-% withpen pencircle scaled lin
-% withcolor col ;
-% fi :
-% endfor
-% enddef ;
-
% either consistent setting or not
if known context_chem : endinput ; fi ;
@@ -64,11 +51,11 @@ chem_axis_rulethickness := 1pt ;
chem_emwidth := 10pt ; % EmWidth or \the\emwidth does not work...
chem_setting_scale := 3 ;
chem_b_length := chem_setting_scale * chem_emwidth ;
-chem_dbl_offset := .05chem_b_length ;
-chem_bb_angle := angle(chem_b_length,2chem_dbl_offset) ;
chem_text_offset := .25chem_emwidth ; % ?
chem_center_offset := .5chem_emwidth ;
chem_picture_offset := chem_emwidth ;
+chem_dbl_offset := .05 ;
+chem_bb_angle := angle(1,2chem_dbl_offset) ;
chem_text_min := 0.75 ;
chem_text_max := 1.25 ;
chem_dot_factor := 4 ; % *linewidth
@@ -144,120 +131,6 @@ path
chem_r_path.chair, chem_r_path.lft.chair, chem_r_path.rt.chair,
chem_r_path.boat, chem_r_path.lft.boat, chem_r_path.rt.boat ;
-a := 2angle(1,sqrt 2) ;
-2b = 180 - .5a ;
-4c = 180 - .5a ;
-d = 3e ; % this is the one tunable parameter which fixes the perspective.
-d + e = 360 - 2a ;
-z2 = z1 shifted dir(90+a+d) ;
-z3 = z2 shifted dir(270-a) ;
-z4 = z3 shifted dir(90+a) ;
-z6 = z1 shifted dir(90+a) ;
-z5 = z6 shifted dir(270-a) ;
-z4 = z1 xyscaled (-1,-1) ;
-z5 = z2 xyscaled (-1,-1) ;
-
-path chem_generic_carbon ;
-
-path chem_generic_carbon ; chem_generic_carbon = dir(0)--dir(360-a)--dir(180-.5a+b)--dir(180-.5a);
-path chem_generic_alkyl ; chem_generic_alkyl = dir(0)--dir(360-a)--dir(360-a-90)--dir(90) ;
-path chem_generic_newmanstagger ; chem_generic_newmanstagger = dir(30)--dir(270)--dir(150)--dir(330)--dir(210)--dir(90) ;
-path chem_generic_newmaneclipsed ; chem_generic_newmaneclipsed = dir(30)--dir(270)--dir(150)--dir(0)--dir(240)--dir(120) ;
-path chem_generic_chair ; chem_generic_chair = z1--z2--z3--z4--z5--z6 ;
-path chem_generic_chair_x ; chem_generic_chair_x = up--dir(270+a)--up--dir(270-a)--up--dir(90+e) ;
-path chem_generic_chair_y ; chem_generic_chair_y = dir(90-a)--down--dir(90+a+d)--down--dir(90+a)--down--cycle ;
-path chem_generic_boat_x ; chem_generic_boat_x = dir(30+.5a)--dir(330+.5a)--dir(210-.5a)--dir(150-.5a)--dir(120)--dir(60) ;
-path chem_generic_boat_y ; chem_generic_boat_y = dir(30-.5a)--dir(330-.5a)--dir(210+.5a)--dir(150+.5a)--dir(120+a)--dir(60-a) ;
-
-def chem_init_all =
- % some helpers
- save a, b, c, d, e; numeric a, b, c, d, e ;
- save p ; path p ;
- % we use the solver
-% a := 2angle(1,sqrt 2) ;
-% 2b = 180 - .5a ;
-% 4c = 180 - .5a ;
- % basics
- chem_init_some(one,8) ;
- chem_init_some(three,3) ;
- chem_init_some(four,4) ;
- chem_init_some(five,5) ;
- chem_init_some(six,6) ;
- chem_init_some(seven,7) ;
- chem_init_some(eight,8) ;
- chem_init_some(fivefront,5) ;
- chem_init_some(sixfront,6) ;
- % specials
-% chem_init_some(carbon,(dir(0)--dir(360-a)--dir(180-.5a+b)--dir(180-.5a)) scaled chem_b_length) ;
-% chem_init_some(alkyl,(dir(0)--dir(360-a)--dir(360-a-90)--dir(90)) scaled chem_b_length) ;
-% chem_init_some(newmanstagger,(dir(30)--dir(270)--dir(150)--dir(330)--dir(210)--dir(90)) scaled chem_b_length) ;
-% chem_init_some(newmaneclipsed,(dir(30)--dir(270)--dir(150)--dir(0)--dir(240)--dir(120)) scaled chem_b_length) ;
- chem_init_some(carbon, chem_generic_carbon scaled chem_b_length) ;
- chem_init_some(alkyl, chem_generic_alkyl scaled chem_b_length) ;
- chem_init_some(newmanstagger, chem_generic_newmanstagger scaled chem_b_length) ;
- chem_init_some(newmaneclipsed,chem_generic_newmaneclipsed scaled chem_b_length) ;
- % chair
-% d = 3e ; % this is the one tunable parameter which fixes the perspective.
-% d + e = 360 - 2a ;
-% z2 = z1 shifted dir(90+a+d) ;
-% z3 = z2 shifted dir(270-a) ;
-% z4 = z3 shifted dir(90+a) ;
-% z6 = z1 shifted dir(90+a) ;
-% z5 = z6 shifted dir(270-a) ;
-% z4 = z1 xyscaled (-1,-1) ;
-% z5 = z2 xyscaled (-1,-1) ;
-% chem_init_some(chair,(z1--z2--z3--z4--z5--z6) scaled chem_b_length) ;
- chem_init_some(chair,chem_generic_chair scaled chem_b_length) ;
-% p := (up--dir(270+a)--up--dir(270-a)--up--dir(90+e)) scaled chem_b_length ;
- p := chem_generic_chair_x scaled chem_b_length ;
- chem_r_path.lft.chair :=
- for i=0 upto 5 :
- point i of p shifted point i of chem_b_path.chair --
- endfor
- cycle ;
- p :=
- chem_generic_chair_y
- scaled chem_b_length ;
- chem_r_path.rt.chair :=
- for i=0 upto 5 :
- point i of p shifted point i of chem_b_path.chair --
- endfor
- cycle ;
- % boat
- chem_init_some(boat,
- for i=1 upto 4 :
- point i-1 of chem_b_path.sixfront --
- endfor
- point 2 of chem_b_path.sixfront yscaled .5 -- point 1 of chem_b_path.sixfront
- yscaled .5
- ) ;
- p :=
- chem_generic_boat_x
- scaled chem_b_length ;
- chem_r_path.lft.boat :=
- for i=0 upto 5 :
- point i of p shifted point i of chem_b_path.boat --
- endfor cycle ;
- p :=
- chem_generic_boat_y
- scaled chem_b_length ;
- chem_r_path.rt.boat :=
- for i=0 upto 5 :
- point i of p shifted point i of chem_b_path.boat --
- endfor
- cycle ;
- % defaults
- chem_star.carbon := true ;
- chem_star.alkyl := true ;
- chem_star.newmanstagger := true ;
- chem_star.newmaneclipsed := true ;
- chem_star.one := true ;
- chem_front.fivefront := true ;
- chem_front.sixfront := true ;
- chem_front.chair := true ;
- chem_front.boat := true ;
-enddef ;
-
% We define all paths as closed, so that they may be indexed mod length.
vardef chem_init_some (suffix $) (expr e) =
@@ -269,8 +142,8 @@ vardef chem_init_some (suffix $) (expr e) =
fi
save n ; numeric n ;
if path(e) :
- n := length(e) if cycle(e) : -1 fi ;
chem_b_path.$ := e if not cycle(e) : -- cycle fi ;
+ n := length(chem_b_path.$) - 1 ;
else : % polygon
n := e ;
save a ; numeric a ; a := 360/n ;
@@ -280,7 +153,6 @@ vardef chem_init_some (suffix $) (expr e) =
dir(if chem_star.$ : -i else : (.5-i) fi *a) --
endfor cycle
)
- scaled chem_b_length
if chem_front.$ :
rotated (a-90)
fi
@@ -288,87 +160,151 @@ vardef chem_init_some (suffix $) (expr e) =
scaled (.5/(sind .5a))
fi ;
fi ;
+ save m ; numeric m ; m := 0 ;
chem_c_path.$ :=
- reverse(fullcircle) scaled
- if chem_star.$ :
- abs(point 0 of chem_b_path.$)
- else :
- (2*(abs(point .5 of chem_b_path.$) - 2chem_dbl_offset))
- fi
- rotated angle(point 0 of chem_b_path.$) ;
+ reverse(fullcircle) rotated angle(point 0 of chem_b_path.$)
+ if not chem_star.$ :
+ hide (for i=0 upto n:
+ if abs(point i+.5 of chem_b_path.$)<abs(point m+.5 of chem_b_path.$):
+ m := i ;
+ fi
+ endfor)
+ scaled (2*(abs(point m+.5 of chem_b_path.$) - chem_dbl_offset))
+ fi ;
if not chem_front.$ :
chem_r_path.$ :=
if chem_star.$ :
chem_b_path.$
else :
- (
- for i=0 upto n-1 :
- (unitvector point i of chem_b_path.$)
- scaled chem_b_length
- shifted point i of chem_b_path.$ --
- endfor
- cycle
- ) ;
- fi
- fi
+ for i=0 upto n-1 :
+ (unitvector point i of chem_b_path.$)
+ shifted point i of chem_b_path.$ --
+ endfor
+ cycle
+ fi ;
+ fi ;
if not chem_star.$ :
- chem_r_path.lft.$ := (
+ chem_r_path.lft.$ :=
for i=0 upto n-1 :
if chem_front.$ :
up
- scaled .5chem_b_length
+ scaled .5
shifted point i of chem_b_path.$
else :
point i+1 of chem_b_path.$
rotatedabout(point i of chem_b_path.$,180)
fi --
endfor
- cycle
- ) ;
- chem_r_path.rt.$ := (
+ cycle ;
+ chem_r_path.rt.$ :=
for i=0 upto n-1 :
if chem_front.$ :
down
- scaled .5chem_b_length
+ scaled .5
shifted point i of chem_b_path.$
else :
point i-1 of chem_b_path.$
rotatedabout(point i of chem_b_path.$,180)
fi --
endfor
- cycle
- ) ;
- fi
+ cycle ;
+ fi ;
+enddef ;
+
+% The following is used only once:
+
+def chem_init_all =
+ begingroup
+ save a, b, c, d, e ; numeric a, b, c, d, e ;
+ save lft, rt ; path lft, rt ;
+
+ % tetrahedrial angle
+ a := 2angle(1,sqrt 2) ;
+ % solve for chair
+ 2b = 180 - .5a ;
+ 4c = 180 - .5a ;
+ d + e = 360 - 2a ;
+ d = 3e ; % this is the one tunable parameter which fixes the perspective.
+ z2 = z1 shifted dir(90+a+d) ;
+ z3 = z2 shifted dir(270-a) ;
+ z4 = z3 shifted dir(90+a) ;
+ z6 = z1 shifted dir(90+a) ;
+ z5 = z6 shifted dir(270-a) ;
+ z4 = z1 xyscaled (-1,-1) ;
+ z5 = z2 xyscaled (-1,-1) ;
+
+ % polygons
+ chem_init_some(three,3) ;
+ chem_init_some(four, 4) ;
+ chem_init_some(five, 5) ;
+ chem_init_some(six, 6) ;
+ chem_init_some(seven,7) ;
+ chem_init_some(eight,8) ;
+ % star-form
+ chem_star.one := true ;
+ chem_star.carbon := true ;
+ chem_star.alkyl := true ;
+ chem_star.newmanstagger := true ;
+ chem_star.newmaneclipsed := true ;
+ chem_init_some(one,8) ;
+ chem_init_some(carbon, dir(0)--dir(360-a)--dir(180-.5a+b)--dir(180-.5a)) ;
+ chem_init_some(alkyl, dir(0)--dir(360-a)--dir(360-a-90)--dir(90)) ;
+ chem_init_some(newmanstagger, dir(30)--dir(270)--dir(150)--dir(330)--dir(210)--dir(90)) ;
+ chem_init_some(newmaneclipsed,dir(30)--dir(270)--dir(150)--dir(0)--dir(240)--dir(120)) ;
+ % front
+ chem_front.fivefront := true ;
+ chem_front.sixfront := true ;
+ chem_front.chair := true ;
+ chem_front.boat := true ;
+ chem_init_some(fivefront,5) ;
+ chem_init_some(sixfront, 6) ;
+ % chair
+ chem_init_some(chair, z1--z2--z3--z4--z5--z6) ;
+ rt := up--dir(270+a)--up--dir(270-a)--up--dir(90+e) ;
+ lft := dir(90-a)--down--dir(90+a+d)--down--dir(90+a)--down ;
+ forsuffixes $ = lft, rt :
+ chem_r_path.$.chair :=
+ for i=0 upto 5 : point i of $ shifted point i of chem_b_path.chair -- endfor
+ cycle ;
+ endfor ;
+ % boat
+ chem_init_some(boat,
+ for i=1 upto 4 : point i-1 of chem_b_path.sixfront -- endfor
+ point 2 of chem_b_path.sixfront yscaled .5 --
+ point 1 of chem_b_path.sixfront yscaled .5
+ ) ;
+ lft := dir(30+.5a)--dir(330+.5a)--dir(210-.5a)--dir(150-.5a)--dir(120)--dir(60) ;
+ rt := dir(30-.5a)--dir(330-.5a)--dir(210+.5a)--dir(150+.5a)--dir(120+a)--dir(60-a) ;
+ forsuffixes $ = lft, rt :
+ chem_r_path.$.boat :=
+ for i=0 upto 5 : point i of $ shifted point i of chem_b_path.boat -- endfor
+ cycle ;
+ endfor ;
+ endgroup ;
enddef ;
-chem_init_all ;
+chem_init_all ; % WHY does this not work unless defined and then called?
+
-% Like most often in ConTeXt, we will trap but just silently ignore mistaken use, unless
-% of course it is too harmful.
+% Like most often in ConTeXt, we will trap but then silently ignore mistaken use,
+% unless of course the error be too harmful...
% \startchemical
vardef chem_start_structure(expr i, l, r, t, b, scale, fitwidth, fitheight, emwidth, offset, axis, rulethickness, axiscolor) =
-
chem_emwidth := emwidth ; % EmWidth or \the\emwidth does not work...
- if scale<>chem_setting_scale :
- chem_setting_scale := scale ;
- chem_b_length := chem_setting_scale * chem_emwidth ;
- chem_dbl_offset := .05chem_b_length ;
-
- chem_init_all ;
- fi ;
-
- chem_setting_fitwidth := fitwidth ;
- chem_setting_fitheight := fitheight ;
+ chem_setting_scale := if scale<>0: scale else: 3 fi ;
+ chem_b_length := chem_setting_scale * chem_emwidth ;
+ chem_setting_fitwidth := if boolean fitwidth : fitwidth else : (fitwidth<>0) fi ;
+ chem_setting_fitheight := if boolean fitheight : fitheight else : (fithheight<>0) fi ;
chem_setting_l := l * chem_b_length ;
chem_setting_r := r * chem_b_length ;
chem_setting_t := t * chem_b_length ;
chem_setting_b := b * chem_b_length ;
chem_setting_offset := offset ;
- chem_setting_axis := axis ;
+ chem_setting_axis := if boolean axis : axis else : (axis<>0) fi ;
chem_axis_rulethickness := .75*(rulethickness) ; % axis 50% thinner than frame and bonds.
- chem_axis_color := axiscolor ;
+ chem_axis_color := if color axiscolor : axiscolor else : axiscolor*[white,black] fi ;
chem_reset ;
enddef ;
@@ -406,7 +342,7 @@ vardef chem_stop_structure =
for i = 0 step -stp until -chem_setting_b : draw (-siz,i) -- (siz,i)
withpen pencircle scaled chem_axis_rulethickness withcolor chem_axis_color ; endfor
% frame=on : draw chem_setting_bbox withcolor chem_axis_color ;
- addto currentpicture also chem_picture ;
+ addto currentpicture also chem_picture ;
fi ;
setbounds currentpicture to chem_setting_bbox ;
enddef ;
@@ -513,14 +449,39 @@ vardef chem_sub@# (suffix $) (expr d, s) = % SUB
enddef ;
def chem_transformed (suffix $) = % not vardef!
+ scaled chem_b_length
if not chem_front.$ :
if chem_mirror<>origin : reflectedabout(origin,chem_mirror) fi
rotated chem_rotation
fi
enddef ;
+vardef chem_draw (suffix $) (expr p, r, c) (text t) =
+ draw p
+ chem_transformed($)
+ withpen pencircle scaled r
+ withcolor c
+ t ;
+enddef ;
+
+vardef chem_fill (suffix $) (expr p, r, c) (text t) =
+ fill p
+ chem_transformed($)
+ withpen pencircle scaled r
+ withcolor c
+ t ;
+enddef ;
+
+vardef chem_drawarrow (suffix $) (expr p, r, c) (text t) =
+ drawarrow p
+ chem_transformed($)
+ withpen pencircle scaled r
+ withcolor c
+ t ;
+enddef ;
+
def chem_check (suffix $) =
- if (chem_adjacent<>0) or (chem_substituent<> 0) or
+ if (chem_adjacent<>0) or (chem_substituent<>0) or
(chem_substituent.lft<>0) or (chem_substituent.rt<>0) :
chem_set($) ; % if not explicitly called...
fi
@@ -664,8 +625,9 @@ vardef chem_b (suffix $) (expr f, t, r, c) = % B
chem_r($,f,t,r,c) ;
else :
chem_check($) ;
- draw (subpath (f-1,t) of chem_b_path.$) chem_transformed($)
- withpen pencircle scaled r withcolor c ;
+ chem_draw($,
+ subpath (f-1,t) of chem_b_path.$,
+ r,c,) ;
fi
enddef ;
@@ -675,8 +637,9 @@ vardef chem_sb@# (suffix $) (expr f, t, r, c) = % SB
else :
chem_check($) ;
for i=f upto t :
- draw (subpath (chem_sb_pair@# shifted (i-1,i-1)) of chem_b_path.$)
- chem_transformed($) withpen pencircle scaled r withcolor c ;
+ chem_draw($,
+ subpath (chem_sb_pair@# shifted (i-1,i-1)) of chem_b_path.$,
+ r,c,) ;
endfor
fi
enddef ;
@@ -687,10 +650,17 @@ enddef ;
vardef chem_r_fragment@# (suffix $) (expr i) =
if chem_front.$ and (length(str @#)=0) : % note that length=3, not 2...
- (point i-1 of chem_r_path.rt.$ -- point i-1 of chem_b_path.$ -- point i-1 of chem_r_path.lft.$)
+ (point i-1 of chem_r_path.rt.$ --
+ point i-1 of chem_b_path.$ --
+ point i-1 of chem_r_path.lft.$)
else :
- (if chem_star.$ : origin else : point i-1 of chem_b_path.$ fi -- point i-1 of chem_r_path@#.$)
- fi % no ;
+ (if chem_star.$ :
+ origin
+ else :
+ point i-1 of chem_b_path.$
+ fi --
+ point i-1 of chem_r_path@#.$)
+ fi
enddef ;
vardef chem_r (suffix $) (expr f, t, r, c) = % R
@@ -699,8 +669,10 @@ vardef chem_r (suffix $) (expr f, t, r, c) = % R
save im, l ; numeric im, l ; l := length chem_b_path.$ ;
for i=f upto t :
im := if i<0 : ((i+1) mod l) + 6 else : ((i-1) mod l) + 1 fi ;
- draw (if (nm and (im>3)) : subpath (.5,1) of fi chem_r_fragment($,i))
- chem_transformed($) withpen pencircle scaled r withcolor c ;
+ chem_draw($,
+ if (nm and (im>3)) : subpath (.5,1) of fi
+ chem_r_fragment($,i),
+ r,c,) ;
endfor
enddef ;
@@ -709,9 +681,13 @@ vardef chem_er (suffix $) (expr f, t, r, c) = % ER
if not chem_front.$ :
for i=f upto t :
save p ; path p ;
- p := chem_r_fragment($,i) chem_transformed($) ;
- draw p paralleled chem_dbl_offset withpen pencircle scaled r withcolor c ;
- draw p paralleled -chem_dbl_offset withpen pencircle scaled r withcolor c ;
+ p := chem_r_fragment($,i) ;
+ chem_draw($,
+ p paralleled chem_dbl_offset,
+ r,c,) ;
+ chem_draw($,
+ p paralleled -chem_dbl_offset,
+ r,c,) ;
endfor
fi
enddef ;
@@ -720,7 +696,9 @@ vardef chem_lr (suffix $) (expr f, t, r, c) = % LR
chem_check($) ;
if not chem_star.$ :
for i=f upto t :
- draw chem_r_fragment.lft($,i) chem_transformed($) withpen pencircle scaled r withcolor c ;
+ chem_draw($,
+ chem_r_fragment.lft($,i),
+ r,c,) ;
endfor
fi
enddef ;
@@ -729,7 +707,9 @@ vardef chem_rr (suffix $) (expr f, t, r, c) = % RR
chem_check($) ;
if not chem_star.$ :
for i=f upto t :
- draw chem_r_fragment.rt($,i) chem_transformed($) withpen pencircle scaled r withcolor c ;
+ chem_draw($,
+ chem_r_fragment.rt($,i),
+ r,c,) ;
endfor
fi
enddef ;
@@ -738,11 +718,10 @@ vardef chem_eb (suffix $) (expr f, t, r, c) = % EB
chem_check($) ;
if not chem_star.$ :
for i=f upto t :
- draw
- (subpath (chem_sb_pair shifted (i-1,i-1)) of chem_b_path.$ paralleled -2chem_dbl_offset)
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
+ chem_draw($,
+ (subpath (chem_sb_pair shifted (i-1,i-1)) of chem_b_path.$)
+ paralleled -2chem_dbl_offset,
+ r,c,) ;
endfor
fi
enddef ;
@@ -751,11 +730,10 @@ vardef chem_ad (suffix $) (expr f, t, r, c) = % AD
chem_check($) ;
if not chem_star.$ :
for i=f upto t :
- drawarrow
- (subpath (chem_sb_pair shifted (i-1,i-1)) of chem_b_path.$ paralleled 2chem_dbl_offset)
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
+ chem_drawarrow($,
+ (subpath (chem_sb_pair shifted (i-1,i-1)) of chem_b_path.$)
+ paralleled 2chem_dbl_offset,
+ r,c,) ;
endfor
fi
enddef ;
@@ -764,11 +742,11 @@ vardef chem_au (suffix $) (expr f, t, r, c) = % AU
chem_check($) ;
if not chem_star.$ :
for i=f upto t :
- drawarrow
- reverse(subpath (chem_sb_pair shifted (i-1,i-1)) of chem_b_path.$ paralleled 2chem_dbl_offset)
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
+ chem_drawarrow($,
+ reverse(
+ (subpath (chem_sb_pair shifted (i-1,i-1)) of chem_b_path.$)
+ paralleled 2chem_dbl_offset),
+ r,c,) ;
endfor
fi
enddef ;
@@ -776,35 +754,31 @@ enddef ;
vardef chem_es (suffix $) (expr f, t, r, c) = % ES
chem_check($) ;
if chem_star.$ :
- for i=f upto t :
- draw
- point i-1 of chem_r_path.$ scaled (xpart chem_sb_pair)
- withpen pencircle scaled (chem_dot_factor*r)
- withcolor c ;
- endfor
+ for i=f upto t :
+ chem_draw($,
+ (point i-1 of chem_r_path.$) scaled (xpart chem_sb_pair),
+ chem_dot_factor*r,c,) ;
+ endfor
fi
enddef ;
vardef chem_ed (suffix $) (expr f, t, r, c) = % ED
chem_check($) ;
for i=f upto t :
+ save p ; path p ;
if chem_star.$ :
- save p ; path p ; p := subpath chem_sb_pair of chem_r_fragment($,i) ;
- draw
- point 0 of (p paralleled -chem_dbl_offset)
- withpen pencircle scaled (chem_dot_factor*r)
- withcolor c ;
- draw
- point 0 of (p paralleled chem_dbl_offset)
- withpen pencircle scaled (chem_dot_factor*r)
- withcolor c ;
+ p := subpath chem_sb_pair of chem_r_fragment($,i) ;
+ chem_draw($,
+ point 0 of (p paralleled -chem_dbl_offset),
+ chem_dot_factor*r,c,) ;
+ chem_draw($,
+ point 0 of (p paralleled chem_dbl_offset),
+ chem_dot_factor*r,c,) ;
else :
- draw
- (subpath (chem_sb_pair shifted (i-1,i-1)) of chem_b_path.$ paralleled -2chem_dbl_offset)
- chem_transformed($)
- dashed evenly
- withpen pencircle scaled r
- withcolor c ;
+ chem_draw($,
+ (subpath (chem_sb_pair shifted (i-1,i-1)) of chem_b_path.$)
+ paralleled -2chem_dbl_offset,
+ chem_dot_factor*r,c,dashed evenly) ;
fi
endfor
enddef ;
@@ -812,36 +786,33 @@ enddef ;
vardef chem_ep (suffix $) (expr f, t, r, c) = % EP
chem_check($) ;
if chem_star.$ :
- for i=f upto t :
save p ; path p ;
- p := subpath chem_sb_pair of chem_r_fragment($,i) ;
- draw
- (point 0 of (p paralleled -chem_dbl_offset) -- point 0 of (p paralleled chem_dbl_offset))
- withpen pencircle scaled r
- withcolor c ;
- endfor
+ for i=f upto t :
+ p := subpath chem_sb_pair of chem_r_fragment($,i) ;
+ chem_draw($,
+ point 0 of (p paralleled -chem_dbl_offset) --
+ point 0 of (p paralleled chem_dbl_offset),
+ r,c,) ;
+ endfor
fi
enddef ;
vardef chem_et (suffix $) (expr f, t, r, c) = % ET
chem_check($) ;
if chem_star.$ :
- for i=f upto t :
save p ; path p ;
- p := subpath chem_sb_pair of chem_r_fragment($,i) ;
- draw
- point 0 of (p paralleled -2chem_dbl_offset)
- withpen pencircle scaled (chem_dot_factor*r)
- withcolor c ;
- draw
- point 0 of p
- withpen pencircle scaled (chem_dot_factor*r)
- withcolor c ;
- draw
- point 0 of (p paralleled 2chem_dbl_offset)
- withpen pencircle scaled (chem_dot_factor*r)
- withcolor c ;
- endfor
+ for i=f upto t :
+ p := subpath chem_sb_pair of chem_r_fragment($,i) ;
+ chem_draw($,
+ point 0 of (p paralleled -2chem_dbl_offset),
+ chem_dot_factor*r,c,) ;
+ chem_draw($,
+ point 0 of p,
+ chem_dot_factor*r,c,) ;
+ chem_draw($,
+ point 0 of (p paralleled 2chem_dbl_offset),
+ chem_dot_factor*r,c,) ;
+ endfor
fi
enddef ;
@@ -851,19 +822,17 @@ vardef chem_db@# (suffix $) (expr f, t, r, c) = % DB
else :
chem_check($) ;
if not chem_front.$ :
- for i=f upto t :
save p ; path p ;
- p := (subpath (chem_sb_pair@# shifted (i-1,i-1)) of chem_b_path.$) chem_transformed($) ;
- draw
- p paralleled -chem_dbl_offset
- withpen pencircle scaled r
- withcolor c ;
- draw
- p paralleled chem_dbl_offset
- withpen pencircle scaled r
- withcolor c ;
- % todo : this should be cut-off where it overlaps an neighboring standard bond.
- endfor
+ for i=f upto t :
+ p := subpath (chem_sb_pair@# shifted (i-1,i-1)) of chem_b_path.$ ;
+ chem_draw($,
+ p paralleled -chem_dbl_offset,
+ r,c,) ;
+ chem_draw($,
+ p paralleled chem_dbl_offset,
+ r,c,) ;
+ % todo : this should be cut-off where it overlaps a neighboring standard bond.
+ endfor
fi
fi
enddef ;
@@ -871,66 +840,59 @@ enddef ;
vardef chem_tb@# (suffix $) (expr f, t, r, c) = % TB
chem_check($) ;
if chem_star.$ :
+ save p ; path p ;
for i=f upto t :
- save p ; path p ;
- p := (subpath chem_sb_pair@# of chem_r_fragment($,i)) chem_transformed($) ;
- draw
- p
- paralleled -2chem_dbl_offset
- withpen pencircle scaled r
- withcolor c ;
- draw
- p
- withpen pencircle scaled r
- withcolor c ;
- draw
- p
- paralleled 2chem_dbl_offset
- withpen pencircle scaled r
- withcolor c ;
+ p := subpath chem_sb_pair@# of chem_r_fragment($,i) ;
+ chem_draw($,
+ p paralleled -2chem_dbl_offset,
+ r,c,) ;
+ chem_draw($,
+ p,
+ r,c,) ;
+ chem_draw($,
+ p paralleled 2chem_dbl_offset,
+ r,c,) ;
endfor
fi
enddef ;
vardef chem_sr@# (suffix $) (expr f, t, r, c) = % SR
chem_check($) ;
- save nm ; boolean nm ;
- nm := ((substring (0,6) of (str $))="newman") ;
- save im, l ; numeric im, l ;
- l := length chem_b_path.$ ;
+ if (substring (0,6) of (str $))="newman" :
+ save im, l ; numeric im, l ;
+ l := length chem_b_path.$ ;
+ for i=f upto t :
+ im := if i<0 : ((i+1) mod l) + 6 else : ((i-1) mod l) + 1 fi ;
+ chem_draw($,
+ subpath (if im>3: .5,ypart fi chem_sb_pair@#) of chem_r_fragment($,i),
+ r,c,) ;
+ endfor
+ else:
for i=f upto t :
if chem_front.$ : % length=3...
- draw
- (subpath chem_sb_pair@# of (subpath (1,0) of chem_r_fragment($,i)))
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
- draw
- (subpath chem_sb_pair@# of (subpath (1,2) of chem_r_fragment($,i)))
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
+ chem_draw($,
+ subpath chem_sb_pair@# of (subpath (1,0) of chem_r_fragment($,i)),
+ r,c,) ;
+ chem_draw($,
+ subpath chem_sb_pair@# of (subpath (1,2) of chem_r_fragment($,i)),
+ r,c,) ;
else :
- im := if i<0 : ((i+1) mod l) + 6 else : ((i-1) mod l) + 1 fi ;
- draw
- (subpath if (nm and (im>3)) : (.5,ypart chem_sb_pair@#) else : chem_sb_pair@# fi of chem_r_fragment($,i))
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
+ chem_draw($,
+ subpath chem_sb_pair@# of chem_r_fragment($,i),
+ r,c,) ;
fi
endfor
+ fi
enddef ;
vardef chem_sd@# (suffix $) (expr f, t, r, c) = % SD
chem_check($) ;
if chem_star.$ :
- for i=f upto t :
- draw
- (subpath chem_sb_pair@# of chem_r_fragment($,i)) chem_transformed($)
- dashed evenly
- withpen pencircle scaled r
- withcolor c ;
- endfor
+ for i=f upto t :
+ chem_draw($,
+ subpath chem_sb_pair@# of chem_r_fragment($,i),
+ r,c,dashed evenly) ;
+ endfor
fi
enddef ;
@@ -938,24 +900,16 @@ vardef chem_rd@# (suffix $) (expr f, t, r, c) = % RD
chem_check($) ;
for i=f upto t :
if chem_front.$ :
- draw
- (subpath chem_sb_pair@# of (subpath (1,0) of chem_r_fragment($,i)))
- chem_transformed($)
- dashed evenly
- withpen pencircle scaled r
- withcolor c ;
- draw
- (subpath chem_sb_pair@# of (subpath (1,2) of chem_r_fragment($,i)))
- chem_transformed($)
- dashed evenly
- withpen pencircle scaled r
- withcolor c ;
+ chem_draw($,
+ subpath chem_sb_pair@# of (subpath (1,0) of chem_r_fragment($,i)),
+ r,c,dashed evenly) ;
+ chem_draw($,
+ subpath chem_sb_pair@# of (subpath (1,2) of chem_r_fragment($,i)),
+ r,c,dashed evenly) ;
else :
- draw
- (subpath chem_sb_pair@# of chem_r_fragment($,i)) chem_transformed($)
- dashed evenly
- withpen pencircle scaled r
- withcolor c ;
+ chem_draw($,
+ subpath chem_sb_pair@# of chem_r_fragment($,i),
+ r,c,dashed evenly) ;
fi :
endfor
enddef ;
@@ -964,24 +918,16 @@ vardef chem_rh@# (suffix $) (expr f, t, r, c) = % RH
chem_check($) ;
for i=f upto t :
if chem_front.$ :
- draw
- (subpath chem_sb_pair@# of (subpath (1,0) of chem_r_fragment($,i)))
- chem_transformed($)
- dashed withdots scaled ((.5chem_b_length/5bp)/3)
- withpen pencircle scaled r
- withcolor c ;
- draw
- (subpath chem_sb_pair@# of (subpath (1,2) of chem_r_fragment($,i)))
- chem_transformed($)
- dashed withdots scaled ((.5chem_b_length/5bp)/3)
- withpen pencircle scaled r
- withcolor c ;
+ chem_draw($,
+ subpath chem_sb_pair@# of (subpath (1,0) of chem_r_fragment($,i)),
+ r,c,dashed withdots scaled ((.5chem_b_length/3)/5bp)) ;
+ chem_draw($,
+ subpath chem_sb_pair@# of (subpath (1,2) of chem_r_fragment($,i)),
+ r,c,dashed withdots scaled ((.5chem_b_length/3)/5bp)) ;
else :
- draw
- (subpath chem_sb_pair@# of chem_r_fragment($,i)) chem_transformed($)
- dashed withdots scaled ((.5chem_b_length/5bp)/3)
- withpen pencircle scaled (chem_dot_factor*r)
- withcolor c ;
+ chem_draw($,
+ subpath chem_sb_pair@# of chem_r_fragment($,i),
+ chem_dot_factor*r,c,dashed withdots scaled ((.5chem_b_length/3)/5bp)) ;
fi
endfor
enddef ;
@@ -991,12 +937,16 @@ vardef chem_hb@# (suffix $) (expr f, t, r, c) = if chem_star.$ : chem_rh@#($,f,t
vardef chem_dr@# (suffix $) (expr f, t, r, c) = % DR
chem_check($) ;
if not chem_front.$ :
- for i=f upto t :
save p ; path p ;
- p := (subpath chem_sb_pair@# of chem_r_fragment($,i)) chem_transformed($) ;
- draw p paralleled chem_dbl_offset withpen pencircle scaled r withcolor c ;
- draw p paralleled -chem_dbl_offset withpen pencircle scaled r withcolor c ;
- endfor
+ for i=f upto t :
+ p := (subpath chem_sb_pair@# of chem_r_fragment($,i)) ;
+ chem_draw($,
+ p paralleled chem_dbl_offset,
+ r,c,) ;
+ chem_draw($,
+ p paralleled -chem_dbl_offset,
+ r,c,) ;
+ endfor
fi
enddef ;
@@ -1005,11 +955,9 @@ vardef chem_bb (suffix $) (expr f, t, r, c) = % BB
chem_rb($,f,t,r,c) ;
elseif chem_front.$ :
chem_check($) ;
- draw
- (subpath (f-1,t) of chem_b_path.$)
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
+ chem_draw($,
+ subpath (f-1,t) of chem_b_path.$,
+ r,c,) ;
save l, fm, tm, nb ; numeric l, fm, tm, nb ;
l := length chem_b_path.$ ;
nb := if (str $)="chair" : 4 else : 3 fi ; % number of bold bonds
@@ -1018,33 +966,35 @@ vardef chem_bb (suffix $) (expr f, t, r, c) = % BB
if tm<fm :
save tmp ; numeric tmp ;
tmp := tm ;
- tm := fm ;
- fm := tmp ;
+ tm := fm ;
+ fm := tmp ;
fi
if fm<nb :
if fm=1 :
- fill
+ chem_fill($,
point fm-1 of chem_b_path.$ --
point fm of chem_b_path.$ shifted (0,-.5chem_dbl_offset) --
- point fm of chem_b_path.$ shifted (0, .5chem_dbl_offset) -- cycle
- withpen pencircle scaled r
- withcolor c ;
+ point fm of chem_b_path.$ shifted (0, .5chem_dbl_offset) --
+ cycle,
+ r,c,) ;
fi
if (fm<=nb-1) and (tm>1) :
save p ; path p;
- p := subpath (if fm>2 : fm-1 else : 1 fi,if tm<nb : tm else : nb-1 fi) of chem_b_path.$ ;
- fill p paralleled -.5chem_dbl_offset --
- reverse(p) paralleled -.5chem_dbl_offset -- cycle
- withpen pencircle scaled r
- withcolor c ;
+ p := subpath (if fm>2 : fm-1 else : 1 fi,if tm<nb : tm else : nb-1 fi)
+ of chem_b_path.$ ;
+ chem_fill($,
+ p paralleled -.5chem_dbl_offset --
+ reverse(p) paralleled -.5chem_dbl_offset --
+ cycle,
+ r,c,) ;
fi
if tm>=nb :
- fill
+ chem_fill($,
point nb of chem_b_path.$ --
point nb-1 of chem_b_path.$ shifted (0,-.5chem_dbl_offset) --
- point nb-1 of chem_b_path.$ shifted (0, .5chem_dbl_offset) -- cycle
- withpen pencircle scaled r
- withcolor c ;
+ point nb-1 of chem_b_path.$ shifted (0, .5chem_dbl_offset) --
+ cycle,
+ r,c,) ;
fi
fi
fi
@@ -1061,18 +1011,15 @@ enddef ;
vardef chem_rb@# (suffix $) (expr f, t, r, c) = % RB
chem_check($) ;
if not chem_front.$ :
+ save p ; path p ;
for i=f upto t :
- save p ; path p[] ;
- p0 := subpath chem_sb_pair of chem_r_fragment@#($,i) ;
- p1 := point 0 of p0 --
- point 1 of p0 rotatedaround(point 0 of p0, -chem_bb_angle) --
- point 1 of p0 rotatedaround(point 0 of p0, chem_bb_angle) --
- cycle ;
- fill
- p1
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
+ p := subpath chem_sb_pair of chem_r_fragment@#($,i) ;
+ chem_fill($,
+ point 0 of p --
+ point 1 of p rotatedaround(point 0 of p, -chem_bb_angle) --
+ point 1 of p rotatedaround(point 0 of p, chem_bb_angle) --
+ cycle,
+ r,c,) ;
endfor
fi
enddef ;
@@ -1081,11 +1028,9 @@ vardef chem_lsr@# (suffix $) (expr f, t, r, c) = % LSR
chem_check($) ;
if not chem_star.$ :
for i=f upto t :
- draw
- (subpath chem_sb_pair@# of chem_r_fragment.lft($,i))
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
+ chem_draw($,
+ subpath chem_sb_pair@# of chem_r_fragment.lft($,i),
+ r,c,) ;
endfor
fi
enddef ;
@@ -1094,11 +1039,9 @@ vardef chem_rsr@# (suffix $) (expr f, t, r, c) = % RSR
chem_check($) ;
if not chem_star.$ :
for i=f upto t :
- draw
- (subpath chem_sb_pair@# of chem_r_fragment.rt($,i))
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
+ chem_draw($,
+ subpath chem_sb_pair@# of chem_r_fragment.rt($,i),
+ r,c,) ;
endfor
fi
enddef ;
@@ -1106,73 +1049,62 @@ enddef ;
vardef chem_lrd@# (suffix $) (expr f, t, r, c) = % LRD
chem_check($) ;
if not chem_star.$ :
- for i=f upto t :
- draw
- (subpath chem_sb_pair@# of chem_r_fragment.lft($,i))
- chem_transformed($)
- dashed evenly
- withpen pencircle scaled r
- withcolor c ;
- endfor
+ for i=f upto t :
+ chem_draw($,
+ subpath chem_sb_pair@# of chem_r_fragment.lft($,i),
+ r,c,dashed evenly) ;
+ endfor
fi
enddef ;
vardef chem_rrd@# (suffix $) (expr f, t, r, c) = % RRD
chem_check($) ;
if not chem_star.$ :
- for i=f upto t :
- draw
- (subpath chem_sb_pair@# of chem_r_fragment.rt($,i))
- chem_transformed($)
- dashed evenly
- withpen pencircle scaled r
- withcolor c ;
- endfor
+ for i=f upto t :
+ chem_draw($,
+ subpath chem_sb_pair@# of chem_r_fragment.rt($,i),
+ r,c,dashed evenly) ;
+ endfor
fi
enddef ;
vardef chem_s (suffix $) (expr f, t, r, c) = % S
chem_check($) ;
if not (chem_star.$ or chem_front.$) :
- draw
- (point f-2 of chem_b_path.$ -- point t of chem_b_path.$)
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
+ chem_draw($,
+ point f-2 of chem_b_path.$ -- point t of chem_b_path.$,
+ r,c,) ;
fi
enddef ;
vardef chem_ss@# (suffix $) (expr f, t, r, c) = % SS
chem_check($) ;
if not (chem_star.$ or chem_front.$) :
- draw (subpath chem_sb_pair@# of (point f-2 of chem_b_path.$ -- point t of chem_b_path.$))
- chem_transformed($) withpen pencircle scaled r withcolor c ;
+ chem_draw($,
+ subpath chem_sb_pair@# of (point f-2 of chem_b_path.$ -- point t of chem_b_path.$),
+ r,c,) ;
fi
enddef ;
vardef chem_mid (suffix $) (expr f, t, r, c) = % MID
chem_check($) ;
if not (chem_star.$ or chem_front.$) :
- for i=f upto t :
- draw
- (origin -- point i-1 of chem_b_path.$)
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
- endfor
+ for i=f upto t :
+ chem_draw($,
+ origin -- point i-1 of chem_b_path.$,
+ r,c,) ;
+ endfor
fi
enddef ;
vardef chem_mids@# (suffix $) (expr f, t, r, c) = % MIDS
chem_check($) ;
if not (chem_star.$ or chem_front.$) :
- for i=f upto t :
- draw
- (subpath chem_sb_pair@# of (origin -- point i-1 of chem_b_path.$))
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
- endfor
+ for i=f upto t :
+ chem_draw($,
+ subpath chem_sb_pair@# of (origin -- point i-1 of chem_b_path.$),
+ r,c,) ;
+ endfor
fi
enddef ;
@@ -1182,11 +1114,13 @@ enddef ;
vardef chem_c@# (suffix $) (expr r, c) = % C
chem_check($) ;
- draw
- chem_c_path.$
- if (str @#)="d" : dashed evenly fi
- withpen pencircle scaled r
- withcolor c ;
+ chem_draw($,
+ chem_c_path.$,
+ if (str @#)="d" :
+ r,c,dashed evenly) ;
+ else:
+ r,c,) ;
+ fi
enddef ;
vardef chem_ccd (suffix $) (expr f, t, r, c) = % CCD
@@ -1196,165 +1130,153 @@ enddef ;
vardef chem_cc@# (suffix $) (expr f, t, r, c) = % CC
chem_check($) ;
save l; numeric l[] ;
- l0 = ypart((origin--center(subpath (f-2,f-1) of chem_b_path.$)) intersectiontimes chem_c_path.$) ;
- l1 = ypart((origin--center(subpath (t-1,t) of chem_b_path.$)) intersectiontimes chem_c_path.$) ;
+ l0 = ypart((origin--center(subpath (f-2,f-1) of chem_b_path.$))
+ intersectiontimes chem_c_path.$) ;
+ l1 = ypart((origin--center(subpath (t-1,t) of chem_b_path.$))
+ intersectiontimes chem_c_path.$) ;
if l1>l0 :
l0 := l0 + length chem_c_path.$ ;
fi
- draw
- (subpath (l1,l0) of chem_c_path.$)
- chem_transformed($)
- if (str @#)="d" : dashed evenly fi
- withpen pencircle scaled r
- withcolor c ;
+ chem_draw($,
+ subpath (l1,l0) of chem_c_path.$,
+ if (str @#)="d" :
+ r,c,dashed evenly) ;
+ else:
+ r,c,) ;
+ fi
enddef ;
vardef chem_ld@# (suffix $) (expr f, t, r, c) = % LD
chem_check($) ;
if chem_star.$ :
- for i=f upto t :
save p ; path p ;
- p := subpath chem_sb_pair@# of chem_r_fragment($,i) ;
- draw
- p
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
- draw
- (p paralleled 2chem_dbl_offset)
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
- endfor
+ for i=f upto t :
+ p := subpath chem_sb_pair@# of chem_r_fragment($,i) ;
+ chem_draw($,
+ p,
+ r,c,) ;
+ chem_draw($,
+ p paralleled 2chem_dbl_offset,
+ r,c,) ;
+ endfor
fi
enddef ;
vardef chem_rd@# (suffix $) (expr f, t, r, c) = % RD
chem_check($) ;
if chem_star.$ :
- for i=f upto t :
- save p ; path p ; p := subpath chem_sb_pair@# of chem_r_fragment($,i) ;
- draw p chem_transformed($) withpen pencircle scaled r withcolor c ;
- draw (p paralleled -2chem_dbl_offset) chem_transformed($)
- withpen pencircle scaled r withcolor c ;
- endfor
+ save p ; path p ;
+ for i=f upto t :
+ p := subpath chem_sb_pair@# of chem_r_fragment($,i) ;
+ chem_draw($,
+ p,
+ r,c,) ;
+ chem_draw($,
+ p paralleled -2chem_dbl_offset,
+ r,c,) ;
+ endfor
fi
enddef ;
vardef chem_ldd@# (suffix $) (expr f, t, r, c) = % LDD
chem_check($) ;
if chem_star.$ :
- for i=f upto t :
save p ; path p ;
- p := subpath chem_sb_pair@# of chem_r_fragment($,i) ;
- draw
- p
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
- draw
- (p paralleled 2chem_dbl_offset)
- chem_transformed($)
- dashed evenly
- withpen pencircle scaled r
- withcolor c ;
- endfor
+ for i=f upto t :
+ p := subpath chem_sb_pair@# of chem_r_fragment($,i) ;
+ chem_draw($,
+ p,
+ r,c,) ;
+ chem_draw($,
+ p paralleled 2chem_dbl_offset,
+ r,c,dashed evenly) ;
+ endfor
fi
enddef ;
vardef chem_rdd@# (suffix $) (expr f, t, r, c) = % RDD
chem_check($) ;
if chem_star.$ :
- for i=f upto t :
save p ; path p ;
- p := subpath chem_sb_pair@# of chem_r_fragment($,i) ;
- draw
- p
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
- draw
- (p paralleled -2chem_dbl_offset)
- chem_transformed($)
- dashed evenly
- withpen pencircle scaled r
- withcolor c ;
- endfor
+ for i=f upto t :
+ p := subpath chem_sb_pair@# of chem_r_fragment($,i) ;
+ chem_draw($,
+ p,
+ r,c,) ;
+ chem_draw($,
+ p paralleled -2chem_dbl_offset,
+ r,c,dashed evenly) ;
+ endfor
fi
enddef ;
vardef chem_oe (suffix $) (expr f, t, r, c) = % OE
chem_check($) ;
if chem_star.$ :
- for i=f upto t :
save p ; path p[] ;
- p0 := subpath chem_sb_pair of chem_r_fragment($,i) ;
- p1 := p0 paralleled -.5chem_dbl_offset ;
- p2 := p0 paralleled .5chem_dbl_offset ;
- draw
- (point 0 of p0 --
- .2[point 0 of p0, point infinity of p0]..
- .3[point 0 of p1, point infinity of p1]..
- .4[point 0 of p0, point infinity of p0]..
- .5[point 0 of p2, point infinity of p2]..
- .6[point 0 of p0, point infinity of p0]..
- .7[point 0 of p1, point infinity of p1]..
- .8[point 0 of p0, point infinity of p0]--
- point infinity of p0)
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
- endfor
+ for i=f upto t :
+ p0 := subpath chem_sb_pair of chem_r_fragment($,i) ;
+ p1 := p0 paralleled -.5chem_dbl_offset ;
+ p2 := p0 paralleled .5chem_dbl_offset ;
+ chem_draw($,
+ point 0 of p0 --
+ .2[point 0 of p0, point infinity of p0]..
+ .3[point 0 of p1, point infinity of p1]..
+ .4[point 0 of p0, point infinity of p0]..
+ .5[point 0 of p2, point infinity of p2]..
+ .6[point 0 of p0, point infinity of p0]..
+ .7[point 0 of p1, point infinity of p1]..
+ .8[point 0 of p0, point infinity of p0]--
+ point infinity of p0,
+ r,c,) ;
+ endfor
fi
enddef ;
vardef chem_bw (suffix $) (expr f, t, r, c) = % BW
chem_check($) ;
if chem_star.$ :
- for i=f upto t :
- save p ; path p[] ; p0 := subpath chem_sb_pair of chem_r_fragment($,i) ;
- p1 := p0 paralleled -.5chem_dbl_offset ;
- p2 := p0 paralleled .5chem_dbl_offset ;
- draw
- (point 0 of p0..
- .1[point 0 of p1, point infinity of p1]..
- .2[point 0 of p0, point infinity of p0]..
- .3[point 0 of p2, point infinity of p2]..
- .4[point 0 of p0, point infinity of p0]..
- .5[point 0 of p1, point infinity of p1]..
- .6[point 0 of p0, point infinity of p0]..
- .7[point 0 of p2, point infinity of p2]..
- .8[point 0 of p0, point infinity of p0]..
- .9[point 0 of p1, point infinity of p1]..
- point infinity of p0)
- chem_transformed($)
- withpen pencircle scaled r
- withcolor c ;
- endfor
+ save p ; path p[] ;
+ for i=f upto t :
+ p0 := subpath chem_sb_pair of chem_r_fragment($,i) ;
+ p1 := p0 paralleled -.5chem_dbl_offset ;
+ p2 := p0 paralleled .5chem_dbl_offset ;
+ chem_draw($,
+ point 0 of p0..
+ .1[point 0 of p1, point infinity of p1]..
+ .2[point 0 of p0, point infinity of p0]..
+ .3[point 0 of p2, point infinity of p2]..
+ .4[point 0 of p0, point infinity of p0]..
+ .5[point 0 of p1, point infinity of p1]..
+ .6[point 0 of p0, point infinity of p0]..
+ .7[point 0 of p2, point infinity of p2]..
+ .8[point 0 of p0, point infinity of p0]..
+ .9[point 0 of p1, point infinity of p1]..
+ point infinity of p0,
+ r,c,) ;
+ endfor
fi
enddef ;
vardef chem_bd (suffix $) (expr f, t, r, c) = % BD
chem_check($) ;
if chem_star.$ :
- for i=f upto t :
save p ; path p[] ;
- p0 := subpath chem_sb_pair of chem_r_fragment($,i) ;
- if chem_bd_wedge :
- p1 := p0 rotated -chem_bb_angle ;
- p2 := p0 rotated chem_bb_angle ;
- else :
- p1 := p0 paralleled -.5chem_dbl_offset ;
- p2 := p0 paralleled .5chem_dbl_offset ;
- fi
- for j=0 upto 3 :
- draw
- (point (j/3) of p1 -- point (j/3) of p2)
- chem_transformed($)
- withpen pencircle scaled 2r
- withcolor c ;
+ for i=f upto t :
+ p0 := subpath chem_sb_pair of chem_r_fragment($,i) ;
+ if chem_bd_wedge :
+ p1 := p0 rotated -chem_bb_angle ;
+ p2 := p0 rotated chem_bb_angle ;
+ else :
+ p1 := p0 paralleled -.5chem_dbl_offset ;
+ p2 := p0 paralleled .5chem_dbl_offset ;
+ fi
+ for j=0 upto 3 :
+ chem_draw($,
+ point (j/3) of p1 -- point (j/3) of p2,
+ 2r,c,) ;
+ endfor
endfor
- endfor
fi
enddef ;
@@ -1392,33 +1314,12 @@ vardef chem_midz@#(suffix $) (expr p) (text t) = % MIDZ
draw chem_text@#(t,
chem_do (
(xpart chem_sb_pair, 0) scaled (xpart point 0 of chem_b_path.$)
+ chem_transformed($)
)
) ;
fi
enddef ;
-string mfun_auto_align[] ;
-
-mfun_auto_align[0] := "rt" ;
-mfun_auto_align[1] := "urt" ;
-mfun_auto_align[2] := "top" ;
-mfun_auto_align[3] := "ulft" ;
-mfun_auto_align[4] := "lft" ;
-mfun_auto_align[5] := "llft" ;
-mfun_auto_align[6] := "bot" ;
-mfun_auto_align[7] := "lrt" ;
-mfun_auto_align[8] := "rt" ;
-
-def autoalign(expr d) =
- scantokens mfun_auto_align[round((d mod 360)/45)]
-enddef ;
-
-% draw textext.autoalign(60) ("\strut oeps 1") ;
-% draw textext.autoalign(160)("\strut oeps 2") ;
-% draw textext.autoalign(260)("\strut oeps 3") ;
-% draw textext.autoalign(360)("\strut oeps 4") ;
-
-
vardef chem_rz@#(suffix $) (expr p) (text t) = % RZ
chem_check($) ;
if not chem_front.$ :
@@ -1464,7 +1365,8 @@ enddef ;
vardef chem_zt@#(suffix $) (expr p) (text t) = % ZT
chem_check($) ;
- draw chem_text@#(t,chem_do ((point p-1 of chem_b_path.$) chem_transformed($) scaled chem_text_min)) ;
+ draw chem_text@#(t,chem_do ((point p-1 of chem_b_path.$) chem_transformed($)
+ scaled chem_text_min)) ;
enddef ;
vardef chem_zln@#(suffix $) (expr p) (text t) = % ZLN
@@ -1473,7 +1375,8 @@ enddef ;
vardef chem_zlt@#(suffix $) (expr p) (text t) = % ZLT
chem_check($) ;
- draw chem_text@#(t, chem_do((point p-1.5 of chem_b_path.$) chem_transformed($)scaled chem_text_min)) ;
+ draw chem_text@#(t, chem_do((point p-1.5 of chem_b_path.$) chem_transformed($)
+ scaled chem_text_min)) ;
enddef ;
vardef chem_zrn@#(suffix $) (expr p) (text t) = % ZRN
@@ -1482,13 +1385,15 @@ enddef ;
vardef chem_zrt@#(suffix $) (expr p) (text t) = % ZRT
chem_check($) ;
- draw chem_text@#(t, chem_do((point p-0.5 of chem_b_path.$) chem_transformed($) scaled chem_text_min)) ;
+ draw chem_text@#(t, chem_do((point p-0.5 of chem_b_path.$) chem_transformed($)
+ scaled chem_text_min)) ;
enddef ;
vardef chem_crz@#(suffix $) (expr p) (text t) = % CRZ ????
chem_check($) ;
if chem_star.$ :
- draw chem_text(t, chem_do((point p-1 of chem_b_path.$ enlonged chem_center_offset) chem_transformed($))) ;
+ draw chem_text(t, chem_do((point p-1 of chem_b_path.$ enlonged chem_center_offset)
+ chem_transformed($))) ;
fi
enddef ;
@@ -1594,7 +1499,8 @@ vardef chem_dir (suffix $) (expr d, s) = % DIR (same as MOV(d-1)MOV(d+1))
chem_origin := origin ;
else :
save p ; pair p ;
- p := (((point d-2 of chem_b_path.$) shifted (point d of chem_b_path.$)) scaled s) chem_transformed($) ;
+ p := (((point d-2 of chem_b_path.$) shifted (point d of chem_b_path.$)) scaled s)
+ chem_transformed($) ;
currentpicture := currentpicture shifted -p ;
chem_origin := chem_origin - p ;
fi
@@ -1632,9 +1538,10 @@ vardef chem_marked (expr d) =
fi
enddef ;
-vardef chem_draw (suffix $) (expr f, t, r, c) = % DRAW
+vardef chem_line (suffix $) (expr f, t, r, c) = % LINE
chem_check($) ;
draw chem_marked(f) -- chem_marked(t)
+ % no chem_transformed
withpen pencircle scaled r
withcolor c ;
enddef ;
@@ -1642,14 +1549,16 @@ enddef ;
vardef chem_dash (suffix $) (expr f, t, r, c) = % DASH
chem_check($) ;
draw chem_marked(f) -- chem_marked(t)
- dashed evenly
+ % no chem_transformed
withpen pencircle scaled r
- withcolor c ;
+ withcolor c
+ dashed evenly ;
enddef ;
vardef chem_arrow (suffix $) (expr f, t, r, c) = % ARROW
chem_check($) ;
drawarrow chem_marked(f) -- chem_marked(t)
+ % no chem_transformed
withpen pencircle scaled r
withcolor c ;
enddef ;
@@ -1672,7 +1581,9 @@ vardef chem_off (suffix $) (expr d, s) = % OFF
else :
save p ; pair p ;
p := (unitvector(point d-1 of chem_b_path.one)) scaled chem_setting_offset*s ;
+ % not chem_transformed
currentpicture := currentpicture shifted -p ;
chem_origin := chem_origin - p ;
fi ;
enddef ;
+
diff --git a/metapost/context/base/mp-mlib.mpiv b/metapost/context/base/mp-mlib.mpiv
index b8fabbfb9..83e708b91 100644
--- a/metapost/context/base/mp-mlib.mpiv
+++ b/metapost/context/base/mp-mlib.mpiv
@@ -99,7 +99,13 @@ newinternal textextoffset ; textextoffset := 0 ;
numeric mfun_tt_w[], mfun_tt_h[], mfun_tt_d[] ; % we can consider using colors (less hash space)
numeric mfun_tt_n ; mfun_tt_n := 0 ;
picture mfun_tt_p ; mfun_tt_p := nullpicture ;
-boolean mfun_trial_run ; mfun_trial_run := false ;
+
+if unknown mfun_trial_run :
+ boolean mfun_trial_run ;
+ mfun_trial_run := false ;
+else :
+ % already defined before the format is loaded
+fi ;
def mfun_reset_tex_texts =
mfun_tt_n := 0 ;
@@ -110,8 +116,8 @@ def mfun_flush_tex_texts =
addto currentpicture also mfun_tt_p
enddef ;
-extra_endfig := "mfun_flush_tex_texts;" & extra_endfig;
-extra_beginfig := extra_beginfig & "mfun_reset_tex_texts;";
+extra_endfig := "mfun_flush_tex_texts ;" & extra_endfig ;
+extra_beginfig := extra_beginfig & "mfun_reset_tex_texts ;" ;
% We collect and flush them all, as we can also have temporary textexts
% that gets never really flushed but are used for calculations. So, we