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authorJakob Kaivo <jkk@ung.org>2022-03-04 12:32:20 -0500
committerJakob Kaivo <jkk@ung.org>2022-03-04 12:32:20 -0500
commit55f277e77428d7423ae906a8e1f1324d35b07a7d (patch)
tree5c1c04703dff89c46b349025d2d3ec88ea9b3819 /miralib/ex/parafs.m
import Miranda 2.066 from upstream
Diffstat (limited to 'miralib/ex/parafs.m')
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1 files changed, 33 insertions, 0 deletions
diff --git a/miralib/ex/parafs.m b/miralib/ex/parafs.m
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+||program for printing isomers of the alkanes -- D.A.Turner
+||say `output' to run
+mol ::= H | C[mol] ||new type -- alkane molecules and radicals
+c p = C (sort p) ||place subcomponents in a standard order
+molecules n = mkset [ mk_molecule x | x <- radicals n ]
+mk_molecule(C p) = canonical_orientation (C(H:p))
+radicals 0 = [H]
+radicals n = (map rads [1..])!(n-1) || make rads a memo function
+rads n = mkset [ c[x,y,z] | i <- [0..(n-1)div 3]; j <- [i..(n-1-i)div 2];
+ x <- radicals i; y <- radicals j; z <- radicals(n-1-i-j) ]
+canonical_orientation x = min (closure reorientations [x])
+reorientations (C p) = [ invert (p--[x]) x | x <- p; x ~= H ]
+ where
+ invert p (C q) = c (c p:q)
+output = concat (map out [1..])
+out n = title n ++ concat(map prettyprint (molecules n))
+title n = "isomers of " ++ prefix!(n-1) ++ "ane\n"
+prefix = ["meth","eth","prop","but","pent","hex","hept","oct","non",
+ "dec"] ++ [show i++"-"|i<-[11..]]
+
+||below this line is concerned with drawing pictures of the molecules
+%include "graphics.m"
+prettyprint x = printpic1 (hd (molpics x)) ++ "\n"
+molpics (C p) = compositions ([centre]:map f [1..# p] )
+ where
+ f i = map (reflect (direction!(i-1))) (subpics i)
+ subpics i = [q1|q<-molpics (p!(i-1));
+ q1<-shift(translate 1 0 q),shift q1..]
+molpics H = [pic 0 0 ["H"]]
+direction = [1,-1,0,2]
+shift p = translate 1 0 (overlaypic[bond,p])
+bond = pic 0 0 ["-"]
+centre = pic 0 0 ["C"]