HAL Id: edutice-00001454
https://edutice.archives-ouvertes.fr/edutice-00001454
Submitted on 26 Oct 2006
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ATOMOL : un système d’aide au suivi des travaux dirigés de chimie en premier cycle universitaire
Dominique Fischer, Michèle Kirch, Amedeo Napoli
To cite this version:
Dominique Fischer, Michèle Kirch, Amedeo Napoli. ATOMOL : un système d’aide au suivi des travaux
dirigés de chimie en premier cycle universitaire. Sciences et Techniques Educatives, Hermes, 1995, 2
(1), pp.61-102. �edutice-00001454�
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¼KÇ;ÀAÁʾKÌ.ºUË;Ì;¸¾_¿|ʸPÏk¼KºC¹KÀ¾_Ï4ÊP¹UÆÃÑÌNÏk¾tÌNÏk¸lÊP¹U×¼_½.»kË;Ì;¾ÄNÇ;¸P¿UË;ÌÑÌNÏk¾ÏkÇ.ÌNÖR¾KÂ0Â0¾t¸Ï;¿KÊa»;Ïk¼K¾t¾_¿|Ê
¼KºC¹K¹K¾KÍRØûkº¾CÒN¾KÀÁÃÂ0¾_Õ>Â0¾_¿ÄNºH»kÀ{¾_¿
C101
¾RÊ
C102
¿rÇNÏ4Ê.ƾ_¿c¸Ï;¿|Êa».Ïk¼K¾_¿ÆkÌ,ÄNºH»À¾
C
Í
Ù,ÚÜÛ;Ú>ÝOÞNß_àNáRâ^ãäCâlå>æjçÞNß'èäCå>éjÞß
%'&toq5C@R()&
Atome
+>\6oqGI<Ga7+>&t()@6<GPf65C&tQ,\6<>\R5HG0?.-A&t/0&.:3>5C*>3>5HG0\K7\.:9JN*>(t(-,<>&;:}7*-:/0&;:
@27*(E&.:)8oqGIQ-,5C&dêKYÃ%'&i3>5C&6(tG0&R5t@27q7B5Gau->7x
numero-atomique
xc3,*:r:CfN+>&+>&2->1 oB@NJN&27q7&;:
+>&7qek3,@6Q,&?.-,GLG<4+G0?.-A&6<.7ë?.-A&/0&<.-,()\R5C*ì@K7*(tGP?.-A&&.:87#-,<í&6<.7BGP&65@63>3,@65B7&6<>@6<;7î}
/0pG<.7&65B`,@6//P&
[1, 103]
Y.%'@s()@.:r:C&U@27*>(tG0?.-A&s&.:B7h-,<O<>*>(u>5C&5]\N&6/,JN*>(t3>5HG^:m&6<.7B5C&sï)&27ð,>ïY
%'@dJ6>@R5HQ,&d&.:B7s-,<>&w`@6/0&2-,5)@R3>3,@6587&6<4@6<.7O@2-î+>*>()@6GI<>&
[-3 -2 -1 0 1 2 3]
ñ3,@65
+>&O})Y%'&.:
vicinales
:C*><.7c/0&.:'/G0@6Gl:C*><F:@+_vC@NJN&6<;7&.:}U/0p@27*(E&Y%'@D:C@27q-,5]@27BG0*><i&.:B7-,<
&6<.7BG0&R5?.-,GG<4+G0?.-A&t/0&t<>*>(u>5]&D+>&t/GP@6G^:C*><F:s:G(t3>/0&;:9?.-A&E/Pp@K7*()&U3,&2->7'&6<>J*5C&UoB*5H(E&65@2`&NJ
+>p@K->7B5C&.:O@27*>()&.:
ñ
&6//P&i+>\63,&6<>+L+>&/0@iJR>@65HQ,&i+>&/Pp@K7*()&x+>&j:]@D`,@6/0&R<>JN&Nxc&27+>&.:s/IG0@6G^:]*<,:
@N+_vC@NJN&R<.7&.:g} /0p@27*>()&Yn@65M+>\6oB@K->7x-,<X@27*>()&d<>&d3,*:_:Cf+>& @K-AJ2-,<y`,*>G^:HGI<X*4-ë@27*>()&d/G0\Y
%'p@K7q7B5HGau->7
electrons
JN*><.7BG0&R<.7)/0@#:87B58-AJK7q-,5C&y\6/P&NJ27B5C*><G0?.-A& +>& /0p@27*>()&Nxs+>\J65HGa7&L3,@65)/0&
<>*>(+.-gQ,@5]@65C&U?.-,GF3>5C\JNfN+>&s/0p@27*(E&+>@6<,:c/0&7@Ku>/0&N@K-i3,\65HGP*F+G0?.-A&U+>&.:'\6/0\R()&6<.7C:'&27n3,@65c/0&
7qe3,&i+>&;:U\6/0&NJK7B5C*<,:s3,\65HGI3>>\65HGP?.-A&.:KY%'@JN*><oqGIQ-,5C@27BG0*><d+>p-,<L:87\65]\N*FJ&6<.7B5C& t&.:B7-,<=\6/0\6()&R<.7
+.-+>*>()@6G<4&
[NIL R S]
ñ/P@î`@6/0&2-,5L3,&2->7b27B5C&*u7&6<;-A&3,@65L/0&5C\6oq/0&21&:HGÜu,&.:]*GI<
calcul-configuration
Yt<M@27*>()&<4p@3,@R5c+>\6oB@2->7n@2-AJ2-,<4&sJN*<koqGQ-,5C@27BGP*<AY %'p@27q7B5HGu->7
molecule
3>5C\NJRG^:C&/P&<>*>(+>&/0@U()*/P\NJ2-,/0&t}U/0@N?.-A&6//P&t@63>3,@6587BGP&6<.7c/0p@27*>()&
ñ
3,@65'+>\6oB@2->7x,G/
<>p@63>3,@6587BGP&6<.79}M@2-AJ2-,<4&E(E*/0\J2-,/0&Y<koqG<>x/0p@27q7B5HGauk->7
structure-electronique
&;:87'/0&
:C\6/0&J27&2-,59+>p-,<>&t()\27B4*F+>&)@63>3,&6/P\N&
calcul-structure-electronique
xÃ?.-,G+>*><<4&
/0@ë:B7B58-AJ27q-,5C&#\R/0&NJ27B5C*><GP?.-A&#JN*(O3>/0f27&#+>&y/0p@27*>()&Y%'&.:i<4*47BG0*><F:w@.:_:]*FJ6GP\N&.:@2->1@27q7B5HGauk->7C:
electrons
&K7
calcul-structure-electronique
:C*><.7ë&2143>/G0J6Ga7\&.:~:8-,5+>&;:
&21,&6(O3>/0&.:c@2-M3,@65]@6Q>5C@63>4&sY
¯°0±N²4³_´k¶2ξ;ÄNº]»kÀ¾
Atome
Õ4Ë.Ì;¸>ºC¾lÁúC¹_¿_¾_Ï4ʾÂ0¾ÀÇNÆkÔKžcƾ_¿»4ÊÇ;À¾_¿_Í
! #"$%&('*)%!,+-&./'*)1023!)%45)%6 !575(+3'*6+8$49:$#,+8("&('*)%;#<$&6;,2=&(55>;#2@?
BACD+=&(E23E'*B&(23C,+-&.$FB&('*)%C '*&,+G5,5(+3'*6+8;'+H+JI &K$#C'*235&(&(5'*%;,2=&(5@$75I23C ,6+G("+=;#L
(Atome
(est-un Objet-Ideal)
(numero-atomique ($un entier)
($intervalle [1 103])) (masse-atomique ($un reel)
($intervalle [0 260])) (charge ($domaine [-3 -2 -1 0 1 2 3])
($defaut 0))
(valence ($domaine [1 2 3 4 5 6])) (vicinales ($des Liaison)
($defaut NIL))
(saturation ($si-besoin calcul-saturation)) (voisins ($des Atome)
($si-ajout supprime-saturation) ($si-enleve supprime-saturation) ($defaut NIL))
(électrons ($defaut NIL))
(configuration ($si-besoin calcul-configuration) ($domaine (NIL R S))
($defaut NIL)) (molecule ($un Molecule)
($defaut NIL)) (structure-electronique
($methode calcul-structure-electronique)))
Atome O ,
5C&63>5C\.:]&6<.7&i/0p@27*>()&+>p*1ekQ,f6<4&YhE&.:UoB@NJN&27q7&;:t+>&`,@R/0&2-,5O*<;7s\K7\i@.:_:]*FJ6GP\N&.:U@2->1 @27q7B5HGauk->7C:
?.-,G>3,@6587BG0J2-,/P@65HG^:]&6<.7/0p@27*>()&s+>p*41kekQ,f6<>&Y
¯°0±N²>³_´¶KÎþ Ä ºH»kÀ¾
O
Ë;Ì;¸>ºÓ¾lÁúC¹_¿r¾_Ï4ÊP¾'ÂÓÑ»4ÊÇ;À¾ÆÑÇ6Ò>Ô_Ïk¾KÍ
Ep-,<j3,*>G<;79+>&E`k-A&D3>5C@27BGP?.-A&NxÃG/&K1>G^:B7&+>&2->1=3,*:r:HGau4G/Ga7\;:3,*4-,59JN@6/PJ2-,/0&65/0@`,@R/0&2-,59+>p-,<
@27q7B5HGauk->7 F-,<5C\6oq/0&21&w:G(Üu,&;:C*>G<d?.-,Gn@27q7@NJ64&E-,<4&E`,@R/0&2-,5s})/0p@27q7B5HGauk->79+>f.:?.-ApG/&6<=@)JN@6/0JK-,/0\
-,<>&|x'-,<4&j()\27B4*F+>&=?.-,GJN@R/0J2-,/0&d:8e,:87\R()@27BG0?.-A&6(E&6<.7/0@g`@6/0&2-,5|Yt<L5C\Roq/0&21,&d:HGÜu,&.:]*GI<y&;:87
3>5C\6oB\65C@Ku>/0&j/P*5_:]?.-A&j/0@joq5]\N?.-A&6<>J&d+>p@NJNJNf.:E}j/0@w`@6/0&2-,5E+>&j/0p@27q7B5HGauk->7O&.:87O\R/0&2`,\&d&27O?.-A&i/0@
`,@6/0&K-,5t+>&i/0p@27q7B5HGauk->7s<4&g`@65HG0&i3,@.:U@2`&NJ/0&D7&6(O3:KYGt<4&()\27B>*,+>&i&.:B73>/->7[47->7BG/Gl:C\N&j:G/0&
JN@6/0J2-,/=+>&~/0@`@6/0&2-,5î+>&~/0p@27q7B5HGauk->7#<>\JN&.:_:Ga7&+>&.:X+>*><<>\&.:X&21k7&65H<>&;:#<>*><@NJNJ&.:_:Gau>/0&;:
+G5C&NJ27&R()&6<.7b+>@6<,:L/0p*4u|vC&27bJN*<4JN&65H<4\Nxw:G)/0&.: @NJNJf.: }/0@ `,@R/0&2-,5L+>& /Pp@K7q7B5HGau->7L:]*<;73,&2-
oq5C\N?.-A&6<;7C:s*- &6<4JN*5]&w:HG/0@E`@6/0&2-,5+>&D/0p@27q7B5Gau->79\K`,*>/a-A&+>@6<,:/0&7&6(t3:|Y
S
G<,:HG0x+>@6<F:/0&)JN@;:
*/0@g`@6/0&2-,5O+>&i/0p@27q7B5HGauk->7U&.:B7t:C*->`,&R<.7s(E*F+GoqGP\N&Nxm-,<4&()\27B>*,+>&j:CpG(O3,*:]&NxJ@65-,<LJN@6/PJ2-,/
:8e,:87\6(E@27BG0?.-A&3,&R5H()&27 +>p*u7&6<kG5#+>&;: `@6/0&2-,5_:JN*><F:B7@6(t()&6<;7 } v]*4-,5KY T *->7&6oB*Gl:CxDGI/&;:87
7*4-RvC*-,5_:)3,*:_:Gau>/0&L+>p->7BG/Gl:C&65t-,<#5C\6oq/P&21,&y:HGÜu,&.:]*GI<>x{(E@6G^:M+>@6<,:)JN&dJ@.:CxG/oB@K->7U()&27q7B5C&d&R<
3>/0@NJN&~+>&.:5C\6oq/0&21&.::G(H@8vC*->7&27X:HG(&6</0fK`,&3,*-,5y()@6GI<.7&6<kG5y/0@ JN*>>\65C&R<>JN& +>&.: `@6/0&2-,5r:
G<.7&65]+>\63,&6<>+>@R<.7&.:|Y z p&.:B7c/0&tJN@.:'3,*4-,5'/0p@27q7B5HGauk->7
saturation
>/0@`@6/0&2-,5+>&s/0@t:C@27q-,5]@27BG0*><
+>p-,< @27*>()&X&.:87wJN@6/0JK-,/0\N,@65j/P&y5C\6oq/0&21& :HG(qu,&.:]*G<
calcul-saturation
H?.-,Gs<4p&;:87
@NJ27BGa`\i?.-Ap&R<LJN@.:U+>p@2uA:C&6<4JN&+>&t`,@6/P&2-,5HKYZ>GÃ/Pp&R<.`>GI5C*<k<>&6(E&6<.79+>p-,<=@27*>()&&.:B7()*,+GoqG0\)3,@65
@N+_vC*><>J27BG0*><*-Ð:B-,3>3>5C&.:_:G0*><+>p@K7*()&;:d`,*>G^:HG<,:CxM@6/0*>5_:L/0@ `,@6/P&2-,5 *4uA:C*>/0f27&+>& /0p@27q7B5HGu->7
saturation
&.:87:8-,3>3>5HG(E\N&3,@65 /0pG<.7&R5H()\N+G0@RG5C&+>&;:y5C\Roq/0&21,&;: :G(H@8vC*->7 &27:HG(H&R</0f2`&
@.:_:]*FJ6GP\.:M}d/0p@27q7B5HGauk->7
voisins
YÃ%'@w`,@6/P&2-,5)+>&
saturation
<4&w`,@65G0@6<.7U3>5]@27BG0?.-A&6()&R<.7
3,@.:9+>@6<F:/P&.:9@NJ27BGa`4Ga7\.:9+>pSUTcVW V %ë8/0&.:(E*/0\J2-,/0&.:s:]*<;7:B7@27BG0?.-A&.:Cx-,<M5C\6oq/0&21&D:HGÜu,&.:]*GI<
@s+>*<4Js\27\3>5C\6oB\65]\s}{-,<>&()\27B4*F+>&kY
Ù,Ú,Ú>ÝOÞNß_àNáRâ^ãäCâlå>æjçÞNß^âlè>â^ßrå>æhß
%'&oq5C@6()&
Liaison
?.-,GL+>\NJR5HGa7#/P&.:X/G0@6G^:]*<,:XG<.7&65]@27*(OG0?.-A&.:îH@65CK7&.:î+.-Q>5C@63>4&
()*/P\NJ2-,/0@6GI5C&63,*:_:]fN+>&?.-A@K7B5C&@27q7B5Gau->7C:8oqGQ-,5C&;KYF%'p
ordre
+>&)/0@t/G0@6Gl:C*><&.:87c-,<&6<.7BGP&65
G@&&(V+=&(23&(EQ5%FE<&ER, ';&(E% ,6+DM)R,5(+CV+=&(23B&EBQ5%';;'+3EM! V+3@'*572C; + + +3'*52C
,@$2" C("B&7&(2350$&PM,+-&.'*H@0*?
"'*23 23F "$# 755(+3'* ,+-&/ 23B7B&(5'* BF OP'*23 @&&( 755(+3'*$#("'*23 23F+=&&% ;#'$#2!$%575(+3'*
+35);#,M' ;'$#2$#575(+3'* '$ 0@&)(R;#'$#2$#5,5(+3'* &(235;*?*PG+H"Q5>&G57B5 #"$#V'*23 23 OP'*23)%9:$#5
(O
(est-un Atome)
(nom ($valeur "oxygène")) (numero-atomique ($valeur 8))
(masse-atomique ($valeur 15.9949)) (valence ($valeur 2))
(électrons ($valeur (He 2s 2 2p 4))))
extremites
/G0@6G^:]*<AYt<4& /GP@6G^:C*><X<>& 3,&K->7M27B5C& JN*<,:87B58-,G7&y&6<;7B5C&L+>&2->1î@27*>()&.:M?.-A&y:HG/0p*>5C+5C&L+>&d/0@
/G0@6G^:]*<b&.:87GI<oB\65HGP&2-,5s})/0@w:]@27q-,5C@27BG0*><=+>&J64@NJ2-,<=+>&.:s@K7*()&;:KY
z p&.:87/P&D5C[>/0&+.-b5C\6oq/0&21&w:G(
3,*:r:HGau4/0&
liaison-possible?
+>&`,\R5HGoqG0&65îJN&27q7&JN*><.7B5C@RG<.7& j:HG/0@JN*><>+Ga7BG0*>< +>&
:C@27q-,5C@K7BG0*<M<>p&.:B7c3,@.:5C&;:H3,&NJ27\&Nx/0&.:@K7*()&;:&21k7B5C\6(tGa7\;:<>&U3,&2->`,&6<;7c3,@.:K7B5C&(tG^:'&6<)3>/0@JN&
&27s/0@i/G0@RG^:C*><L<>p&.:873,@.:OJ65C\N\&Yh%'*>5_:C?.-Ap-,<>&i/G0@RG^:C*>< &.:87&6oqoB&NJ27BGa`&6()&6<;7UJ65]\N\N&Nx/P&.:O@27q7B5HGauk->7C:
ordre
&K7
extremites
:C&t`,*>G0&6<;79@.:_:]*FJRG0&65{-,<4&E`@6/0&2-,5KYF%'&)5C\6oq/0&K1,&w:G(H@8v]*4->7
+met-a- jour-atomes
@27q7@NJ64\}
extremites
&6<;7B5C&s&6<)@J27BG0*><)@63>5Cf.:n/0p\NJ65HGa7q-,5]&s+>&/0@{`,@6/P&2-,5c+>&
/0p@27q7B5HGauk->7 3,*4-,5UJ64@NJ2-,<L+>&;:U@27*>()&.:U&21k7B5C\6(tG7\.:CxG/()&27}vC*-,5s/0&.:`,@R/0&2-,5_:+>&.:@27q7B5HGauk->7C:
voisins
&27
vicinales
Yt%'&5C\6oq/0&K1,& :HGH&6</Pf2`,&
-met-a-jour-atomes
@6Q>G7 +>&
()@6<GPf65C& :G(tG/0@RG5C&Nx@2- ()*>()&6<;7+>& /P@:B-,3>3>5C&.:_:G0*>< +>&/0@`,@6/P&2-,5+>&/0p@27q7B5HGu->7
extremites
Yn@65t+>\RoB@2->7xm/P@/G0@6G^:]*<=<>p@3,@.:U+>&
stereochimie
x()@6G^:/0@D`,@6/P&2-,5U+>&
JN&27@27q7B5HGauk->73,&2->727B5C&OJN@6/0J2-,/P\N&3,@65/P&5C\6oq/0&K1,&
calcul-stereochimie
Y z
*>(t()&3,*-,5
/0&oq5C@6()&
Atome
x>/0p@27q7B5HGu->7
molecule
G<4+G0?.-A&s}s?.-A&6//0&(E*/0\J2-,/0&s@63>3,@65B7BG0&6<.7/0@/IG0@6G^:]*<AY
¯°0±N²>³_´¶KÎþ Ä ºH»kÀ¾
Liaison
Í
Ù,ÚPÙ,Ú>ÝOÞNß_àNáRâ^ãäCâlå>æjçÞNß'éjåNàlÞNß
S 3>5]f.:/0&.:=@27*>()&.:=&27i/P&.:/G0@6G^:]*<,:Cx<4*4-:=@6/I/0*<,:=+>\NJ65HG5]& /0&#oq5C@6(E&
Molecule
xt?.-,G
5C&63>5C\.:]&6<.7&t/0&;:Q>5C@63>>&;:()*/P\NJ2-,/0@6GI5C&.:9&27?.-,G3,&2->7:]&`,*>G59JN*(O()&-,<i&R<F:C&R(u>/0&O+>p@K7*()&;:
&27)+>&d/GP@6G^:C*><F:|Ym%'&doq5C@6(E&
Molecule
3,*:r:CfN+>&=+>*<4Jd+>&2->1X@K7q7B5HGau->7C:E?.-,G+>\6oqG<kG^:_:]&6<.7):]@
:87B58-AJ27q-,5]&
atomes
&27
liaisons
BoqGQ-,5C&tKY%'@`@6/0&2-,5+>&tJN&.:'@27q7B5HGu->7C:'&.:87mJN*><F:87BG7q-A\N&
+>&D/0@t/G^:B7&)+>&.:9@27*>()&.:9&27+>&.:/G0@RG^:C*><F:9JN*>(t3,*:C@6<;7/P@E(E*/0\J2-,/0&Y>%'@EoB@JN&27q7&
$si-ajout
@.:_:]*FJ6GP\N&})/0p@27q7B5HGauk->7
atomes
G<.7B5]*F+.-,Ga7/0&D5C\Roq/0&21,&
+met-a-jour-nom
+>*<;7/P&Ouk->7&;:87
+>p\J65HG5C&s/0&s<>*>(+>&/0@()*>/0\NJ2-,/P&s+>@6<F:/Pp@K7q7B5HGau->7
molecule
+>&sJR>@N?.-A&s@27*>()&s@63>3,@R587&6<>@R<.7
}y/0@y()*>/0\NJ2-,/0&kYZ>GU*><:8-,3>3>5HGI()&#+>&.:@27*>()&.:w+>@6<F:i/P@y()*/P\NJ2-,/0&Nxs/0&y5C\Roq/0&21,&
-met-a- jour-nom
:8-,3>3>5HG(E&D/0@t`,@6/0&K-,5s+>&D/Pp@K7q7B5HGau->7
molecule
3,*-,5sJ64@NJ2-,<=+>p&6<.7B5C&M&2->1YF%'&;:
()6()&.:)5]\6oq/0&21&.:i:C*><.7U->7BG/G^:]\.:)/0*>5_:M+>&d/0p@N+_vC*><>J27BGP*<X*-/P@:B-,3>3>5C&.:r:HG0*><X+>&j/G0@RG^:C*><F:|Yn%'&;:
AC# 5,5(+3'* ;#'+H+JI $# +=&(E23EB'* 57)R57 +35 ,+ ;'+35>&(57'*6+ ,+ Q23'$;)%&P+ "B&'*)R,+ 5E,+ +3+
4*&(23E)%5>&(E,+!'*OPIB23&$#QEB'*)%E@&(2351;,2=&(5@$75I23 %%)R'*7EB@$#*?UB7'*V&$231@&;#'+J5&(5'*V +
(Liaison
(est-un Objet-Ideal) (ordre ($un entier)
($domaine [1 2 3])) (extremites ($des Atome)
($si-possible liaison-possible?) ($si-ajout +met-a-jour-atomes) ($si-enleve -met-a-jour-atomes)) (stereochimie ($si-besoin calcul-stereochimie)
($domaine [NIL Z E]) ($defaut NIL))
(molecule ($un Molecule)
($defaut NIL)))
@27q7B5HGauk->7C:
cycles
x
cycles-aromatiques
&27
classes-de-symetrie
()\6()*>5HG^:]&6<.7/0&.:JN@65C@J27\65HG^:B7BG0?.-A&.:J6kG(tG0?.-A&.:+>&/0@()*/P\NJ2-,/0&YL%'&2-,5_:`@6/0&2-,5_::C*><.7
JN@6/0J2-,/P\N&.:#3,@65X+>&;:#5C\6oq/0&K1,&.:X:HG(qu,&.:]*G<?.-,G3,&R5H()&27q7&6<;7 +>&3>5]*FJN\+>&65#}/0@
=+>&/0@()*>/0\NJ2-,/P&Y%'&;:soB*<4J27BG0*><F:U+>&3,&R5CJN&637BG0*><LJ6kG(tG0?.-A&3,&R5H()&27q7&6<;79/0p@6<>@6/eF:]&
+>&.:U()*/P\NJ2-,/0&.:O&27&6<.7B5]&6<.7&6<)vC&2-#<4*47@R(t()&6<;7s3,*-,5tJN*>(t3,@65]&65s/0&.:s(E*/0\J2-,/0&.:s3>5]*3,*:C\N&;:
3,@65t/0&.:E\27q-A+G0@6<;7C:)+>@6<,:t/0&;:)&21&65CJ6G0J&.:)}d+>&;:(E*/0\J2-,/0&.:O+>&i5C\6oB\65C&R<>JN&Y%'&.:UG<oB*>5H()@27BGP*<,:
*4uk7&6<.-A&.:/0*5r:+>&Ð/0@Ð3,&65CJ&637BG0*><:C*><.7\6Q,@6/P&6()&6<;7<4\NJN&.:r:C@6GI5C&.: 3,*4-,5`>G^:B-A@6/G^:]&65/0&;:
()*/P\NJ2-,/0&.: +>@R<F:/0&.: \R<>*><>JN\.: +>&;: &21,&65]J6G0JN&.:]x&27JN&+>@6<,:/0&;:+Ga`&65_:(E*F+>&.: +>&
5C&63>5C\.:]&6<.7@K7BG0*<E+>&.::87B5B-AJ27q-,5C&.:(E*/0\J2-,/0@6G5]&.:KY
(Molecule
(est-un Objet-Ideal) (atomes ($des Atome)
($defaut NIL))
($si-ajout +met-a-jour-nom) ($si-enleve -met-a-jour-nom)) (liaisons ($des Liaison)
($defaut NIL))
($si-ajout +met-a-jour-nom) ($si-enleve -met-a-jour-nom)) (cycles ($si-besoin perception-cycles)) (cycles-aromatiques
($si-besoin perception-aromaticite)) (classes-de-symetrie
($si-besoin perception-symetrie)))
¯A°0±N²>³_´k¶2ξ;ÄNºH»kÀ{¾
Molecule
Í
S
oqGI<i+>p&21>3>/IG0J6Ga7&65'/0&.:5]&6/0@27BG0*><F:?.-,G&214G^:87&6<;7'&6<.7B5]&t@27*>()&.:Cx,/G0@6G^:]*<,:'&27()*>/0\NJK-,/0&.:Cx,<>*-:
@6//0*><F:U+>\J65HG5C&/P@iJ65C\N@27BGP*<=+>p-,<>&DGI<F:87@R<>JN&M+>&
Molecule
Y z
&27q7&MJ65C\N@K7BG0*<L:C&M+>\65C*-,/0&&R<
7B5C*Gl:7&R(t3: J65C\N@K7BG0*< +>&.:O@27*>()&.:]x3-,G^:O+>&.:U/G0@RG^:C*><F:]x3-,G^:O+>&w/P@w()*>/0\NJK-,/0&j&R//0&8(E6()&Y
t*e4*<,:/P&JN@;:+>p-,<M&21&6(t3>/0&t:HG(O3>/0& .-,<>&s()*/P\NJ2-,/0&U+>p&N@2-BoqGQ-,5C&DKY.%'@s3>5C&6(tG0fR5C&\K7@63,&
&.:87/P@J65C\@27BG0*><+>&D+>&K->1G<F:B7@6<>JN&;:9+.-doq5C@R()&
H
x
H1
&27
H2
&27+>p-,<>&tG<F:B7@6<>J&D+.-=oq5C@6(E&
O
x
O3
Y8'<F:B-,Ga7&Nxh-,<>&)/G0@6Gl:C*><
Li4
+>p*5C+5]& )+>*><.7/P&.:s&K17B5C\6(OGa7\.:U:C*><.7/0&;:s@27*>()&.:
H1
&27
O3
&.:87J65C\N\N&kY z &27q7&jJR5C\N@27BG0*><#:Cp@NJNJ*(t3,@RQ><>&+>&w/0@i()*,+GoqG0JN@K7BG0*< +>&i/0@`,@6/0&K-,5t+>&.:@27q7B5HGauk->7C:
voisins
&27
vicinales
+>&.:)@27*>()&.:
H1
&K7
O3
Y
H1
@
O3
3,*-,5`*G^:G< &27
Li4
3,*-,5
`>G0J6GI<>@6/0&kY%'&i+>\65]*4-,/0&R()&6<.7&.:B7U:HG(tGI/0@6G5C&3,*-,5s/0@MJ65C\N@27BGP*<=+>&D/0@M+>&2->1>GPf6()&D/IG0@6G^:]*<L:HG(O3>/0&
Li5
&R<.7B5C&
H2
&27
O3
YR'<oqG<4x-,<>&yGI<F:87@R<>JN&#+.- oq5C@6(E&
Molecule
&.:87gJ65]\N\N&Nx
Mo6
xU}
/0@N?.-A&6//P& :C*><.7O@27q7B5Gau-A\N&;:t/0@j/IG^:87&d+>p@27*>()&.:
(H1 H2 O3)
&27U/P@j/G^:B7&j+>&i/G0@6Gl:C*><F:
(Li4 Li5)
Y.%'@s(tG^:C&U&6<)3>/0@NJ&s+>&.:c@27*>()&.:c&K7+>&;:/G0@6Gl:C*><F:c&.:B7c:8-,Ga`4G0&s+>&/0p\NJ65HG7q-,5C&s+.-M<>*>(+>&/0@
()*/P\NJ2-,/0&Nx
Mo6
x,+>@6<,:/0p@27q7B5HGauk->7
molecule
+>&sJ6>@J2-,<)+>&.:cJ*<,:87BGa7q-A@6<;7C:KY
à ^. "!#'F
%'&t()*,+.-,/0&t+>p&6<,:C&6GIQ><>&6()&R<.7'JN*><.7BG0&R<.7c/0@t+>&;:CJ65HGI37BG0*<g+>&.:7"$J6>&.:?.-,GÃ:C*><.7c3>5]*3,*:C\N&;:}
/0p\27q-A+G0@6<;7 &27?.-,G:C*><.7 :C*>Ga7+>&.: &21,&R5CJ6G0JN&;:Cx:]*G7 +>&.: 3>5]*4u4/0f6()&.:|Y %'& ()*,+.-,/0&
3,&2->`,&6<;7:Cp@63>3>/G0?.-A&R5} -,<+>*(E@6G<>&#?.-A&R/0JN*><>?.-A&NxU&27t-,<X<Ga`&N@2- +>&d7"$NJ64&.:j:3,\NJ6GoqGP?.-A&.:
+>\N+G0\N&.:'}s/0@UJ6G(OG0&Y.E@6<F:-,<4&3>5C&R(tG0f65C&s3,@6587BGP&NxF<>*-:'+>\6oqG<kG^:_:]*<,:/P@<4*47BG0*><)+>&3>5C*u>/Pf6()&
7&6//0&M?.-Ap&R//0&@)\27\)&6<;`>G^:]@6Q,\N&t3,*-,5 SUTcVWXV %9Y '<F:8-,G7&Nxh<4*4-:9+>\NJR5HGa`,*><F:/P@g:B7B58-AJ27q-,5C&)+.-
()*F+.-,/P&+>p&R<F:C&RGQ><>&6(E&6<.7&27+>&ì:C&;:~3>5HG<4J6G3,@6/0&;:JN*>(t3,*:]@6<.7&;: b7"$NJ64&Nx#&21&65CJ6G0J&Ð&27
3>5C*4u4/0f6()&kYh-,5]@6<.7JN&27q7&i+>&.:]J65HG37BG0*><>x<>*-:U+>*><<4*<,:U?.-A&6/0?.-A&.:&21,&6(O3>/0&.:U+>p&21&65CJ6G0J&.:U&27
+>&3>5C*4u4/0f6()&;:c+>&sJ6GI(tG0&Y
>ÚÜÛ;Ú9è)æhåä]â^å>æçhÞsãáRåéjÞ
-,<>& (E@6<G0fR5C& Q,\6<4\65C@6/P&Nx{-,< 3>5]*4u4/0f6()& &.:87M&R< 5C&R/0@27BG0*><@K`,&NJL/^@R3>3>5C&6<.7BGl:_:C@RQ,&y+ -,<
JN*<4JN&637+>&jJ6kG(tG0&*>5HQ,@6<GP?.-A&YO<b7&R/JN*><>J&637s3,*:_:]fN+>&g-,< +>&6Q>5]\j+>&JN*>(t3>/0&214Ga7\w/IG0\i}
/^&R<F:C&R(u>/0&)+>&)JN*><<4@6G^:_:]@6<>J&.:9?.-ÅGI/Ã&;:87c<>\JN&.:_:]@6G5C&O+ ^@2`*GI53,*4-,5'3,*4->`*G5@63>3>5C\64&6<>+>&65'/0&
JN*<4JN&637rY S G<F:G0x()*GI<F:-,<LJ*<4JN&6379<>\NJ&.:_:Ga7&i+>&iJN*><<>@RG^:_:]@6<>JN&;:Cx()*GI<F:sG/c&;:87
H&27 3>/a-:~G/X&;:87\6/0\6(E&6<.7@6GI5C&6CxX&27 5C\NJ6GI3>5C*F?.-A&R()&6<.7x#3>/a-:-,<JN*<4JN&637<4\NJN&.:r:HGa7& +>&
JN*<k<>@6Gl:_:C@R<>JN&.:]xÃ3>/a-:9G/&.:B7+GIoqoqG0J6G/0&)})@63>3>5C&R<>+5C&Nx&27'3>/a-:G/:l@63>3-,G0&:8-,5/0@)JN*><<4@6G^:r:C@6<4JN&
+>& JN*><>J&637C:î\6/0\6()&R<.7@6G5]&.:KYD%'p@63>3>5]&6<.7BG^:r:C@6Q,&+ -,<ÐJ*<4JN&637:]&7B5]@N+.-,Ga7X+>*><>J3,@R5y-,<
&6<F:]&6(u>/P&#+>& 7"$NJ6>&;:+>& u,@.:]&#?.-,G:]*<;7M&6<X5C@63>3,*>587M@2`&NJ /l@63>3>5C&R<.7BG^:r:C@6Q,& +>&yJN*><>JN&R37C:
\6/0\6()&R<.7@6G5]&.:KY
5C@K7BG0?.-A&6()&6<;7x-,< 3>5C*4u4/0f6()&L:C&d+>\6oqGI<Ga7U3,@65O5C@63>3,*>587O}w-,<#J*<4JN&637O}d@63>3>5]&6<>+5C&3,@65
/^\K7q-A+G0@6<.7mJN*>(t()&-,<>&UJN*(O3,*:Ga7BG0*><+ l&21&65CJ6G0J&.:Cx?.-,GAJN*>5H5C&.:3,*<4+>&6<.7mJ6>@J2-,<M}{-,<>&{7"$NJ64&
(Mo6
(est-un Molecule)
(atomes ($value (H1 H2 O3))) (liaisons ($value (Li4 Li5))))
(Li5
(est-un Liaison) (ordre ($value 1))
(extremites ($value (H2 O3))) (molecule ($value Mo6))) (Li4
(est-un Liaison) (ordre ($value 1))
(extremites ($value (H1 O3))) (molecule ($value Mo6)))
(H2
(est-un H)
(voisins ($value (O3))) (vicinales ($value (Li5))) (molecule ($value Mo6))) (O3
(est-un O)
(voisins ($value (H1 H2))) (vicinales ($value (Li4 Li5))) (molecule ($value Mo6)))
(H1
(est-un H)
(voisins ($value (O3))) (vicinales ($value (Li4))) (molecule ($value Mo6)))
O 3 H 1 H 2
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3>5C*4u4/0f6()&xJN&6587@RG<>&.::]\N?.-A&6<>J&.:'+ ^&21&65CJ6GPJN&.:c3,&2->`,&R<.7cK7B5C&Gl:C*>/0\N&.:c3,@65CJ&?.-l&6//0&;:oB*>5H()&R<.7
-,<L&6<F:]&6(u4/0&iJN*>>\65C&R<.793,&65H()&K7q7@6<.7+ l@63>3>5C\64&6<>+>&65-,<dJ*<4JN&6379+>&M+>&6Q>5C\+>&MJN*>(t3>/0&214Ga7\
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z
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Ym%'&.:i:]*(O()&27C:M+.-îQ>5C@63>>&L:8ek(u,*>/G^:]&6<.7O+>&;:7"$NJ64&.:)\R/0\6()&6<;7@6G5C&;:)&27U/0&;:)@65CJ;:)+.-
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3,@65/P&2-,5t+>&RQ>5C\i+>&iJN*>(t3>/0&214Ga7\YGÃ/-:s3>5C\NJ6Gl:C\6()&R<.7x/0@D7"$NJ64&j:8ek(u,*>/G^:]\N&3,@65-,<y:]*(O()&27
Z O&.:B7-,<i3>5C\R5C&N?.-,G^:9+>&t/0@7"$NJ64&:8ek(u,*>/G^:]\N&t3,@65-,<d:C*>(t()&27Z>ð :G/0&tJN*><>JN&R37'@.:_:]*FJ6GP\t}
Z E+>*Ga7{27B5C&D(E@Å7B5HG^:]\D3,*-,5s?.-A&)/0&JN*><>J&637@;:_:C*,J6G0\)}iZ>ðj3-,Gl:_:C&)27B5]&E/-,G(8()6(E&E(E@Å7B5HG^:]\
8/0&UJN*<4JN&637m@.:_:]*FJ6GP\})ZCs&.:B7()*>G<F:'JN*>(t3>/0&K1,&U?.-A&/0&UJN*><>JN&R37@;:_:C*,J6G0\s}tZ>ð>KYN%'@5C&6/P@27BG0*><
#&.:B7@6<;7BG^:8ek()\27B5G0?.-A& &K77B5C@6<,:HGa7BG`,&Nxs()@6G^:g<>*><5C\6oq/0&K1>Ga`&#&27M<>*><
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3>5C\65C&N?.-,Gl:M&21>G^:B7&L+>@6<F:M+>&j<4*(Uu>5C&2->1î:8e,:87fR()&.:)+>p&6<,:C&6GIQ><>&6()&R<.7O@.:r:HG^:B7\j3,@65)*>5C+G<4@27&2-,5Cx
:C*>Ga7d3,*-,5 &21,\J2->7&65d-,<~5C&27*-,5H@655HG0f65C&?.-A@6<4+-,<4&*4-3>/a-:HGP&2-,5_: &65H5]&2-,5_: *><.7b&2-/IG0&2-
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Pb1
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Pb2
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Pb2
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+ ^&6<;`>G^:]@6Q,&65t3>/-:HG0&2-,5r:t()*,+>&.:)+>&5C\.:C*>/a->7BG0*><#+>&3>5C*4u4/0f6()&;:)JN*>5H5C&.:3,*<4+>@6<.7O}=@2->7@6<.7+>&
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Ex4
Ex3
Ex2
Ex8
Ex7
Ex6
Ex1
Y
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z &L:C&NJN*><>+y(E*F+>&d+>&5C\.:C*>/a->7BG0*><#&;:87O+Ga7! .,- 0/1)2 43(52 6 7
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+>&6()@6<4+>\+>&5]\.:C*-A+5C&/P&.:#&K1,&65CJRG0JN&.:
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&K7
Ex2
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