diff options
Diffstat (limited to 'metapost')
| -rw-r--r-- | metapost/context/base/mp-chem.mpiv | 1037 | ||||
| -rw-r--r-- | metapost/context/base/mp-mlib.mpiv | 12 |
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 |