In[]:=
Molecule["CC(CCC)CC"]
Out[]=
Molecule
Formula:
C
7
H
16
Atoms:
23
Bonds:
22

In[]:=
MoleculePlot3D[%]
Out[]=
In[]:=
EnumerateCombinators[4]
Out[]=
{s[s][s][s],s[s[s][s]],s[s[s]][s],s[s[s[s]]],s[s][s[s]],s[s][s][k],s[s[s][k]],s[s[s]][k],s[s[s[k]]],s[s][s[k]],s[s][k][s],s[s[k][s]],s[s[k]][s],s[s[k[s]]],s[s][k[s]],s[s][k][k],s[s[k][k]],s[s[k]][k],s[s[k[k]]],s[s][k[k]],s[k][s][s],s[k[s][s]],s[k[s]][s],s[k[s[s]]],s[k][s[s]],s[k][s][k],s[k[s][k]],s[k[s]][k],s[k[s[k]]],s[k][s[k]],s[k][k][s],s[k[k][s]],s[k[k]][s],s[k[k[s]]],s[k][k[s]],s[k][k][k],s[k[k][k]],s[k[k]][k],s[k[k[k]]],s[k][k[k]],k[s][s][s],k[s[s][s]],k[s[s]][s],k[s[s[s]]],k[s][s[s]],k[s][s][k],k[s[s][k]],k[s[s]][k],k[s[s[k]]],k[s][s[k]],k[s][k][s],k[s[k][s]],k[s[k]][s],k[s[k[s]]],k[s][k[s]],k[s][k][k],k[s[k][k]],k[s[k]][k],k[s[k[k]]],k[s][k[k]],k[k][s][s],k[k[s][s]],k[k[s]][s],k[k[s[s]]],k[k][s[s]],k[k][s][k],k[k[s][k]],k[k[s]][k],k[k[s[k]]],k[k][s[k]],k[k][k][s],k[k[k][s]],k[k[k]][s],k[k[k[s]]],k[k][k[s]],k[k][k][k],k[k[k][k]],k[k[k]][k],k[k[k[k]]],k[k][k[k]]}
In[]:=
CombinatorTraditionalForm/@%
Out[]=
{
SSSS
,
S(SSS)
,
S(SS)S
,
S(S(SS))
,
SS(SS)
,
SSSK
,
S(SSK)
,
S(SS)K
,
S(S(SK))
,
SS(SK)
,
SSKS
,
S(SKS)
,
S(SK)S
,
S(S(KS))
,
SS(KS)
,
SSKK
,
S(SKK)
,
S(SK)K
,
S(S(KK))
,
SS(KK)
,
SKSS
,
S(KSS)
,
S(KS)S
,
S(K(SS))
,
SK(SS)
,
SKSK
,
S(KSK)
,
S(KS)K
,
S(K(SK))
,
SK(SK)
,
SKKS
,
S(KKS)
,
S(KK)S
,
S(K(KS))
,
SK(KS)
,
SKKK
,
S(KKK)
,
S(KK)K
,
S(K(KK))
,
SK(KK)
,
KSSS
,
K(SSS)
,
K(SS)S
,
K(S(SS))
,
KS(SS)
,
KSSK
,
K(SSK)
,
K(SS)K
,
K(S(SK))
,
KS(SK)
,
KSKS
,
K(SKS)
,
K(SK)S
,
K(S(KS))
,
KS(KS)
,
KSKK
,
K(SKK)
,
K(SK)K
,
K(S(KK))
,
KS(KK)
,
KKSS
,
K(KSS)
,
K(KS)S
,
K(K(SS))
,
KK(SS)
,
KKSK
,
K(KSK)
,
K(KS)K
,
K(K(SK))
,
KK(SK)
,
KKKS
,
K(KKS)
,
K(KK)S
,
K(K(KS))
,
KK(KS)
,
KKKK
,
K(KKK)
,
K(KK)K
,
K(K(KK))
,
KK(KK)
}
In[]:=
Molecule["K(S(KS))"]
Molecule
:Unable to interpret K(S(KS)) as a name or chemical identifier.
Out[]=
Molecule[K(S(KS))]
In[]:=
Molecule["CCC(CC(CC)CCC)"]
Out[]=
Molecule
Formula:
C
10
H
22
Atoms:
32
Bonds:
31

In[]:=
MoleculePlot3D[%]
Out[]=
In[]:=
Molecule["SSSS"]
Out[]=
Molecule
Formula:
H
2
S
4
Atoms:
6
Bonds:
5

In[]:=
MoleculePlot3D[%]
Out[]=
{s[s[s]][s][s][s][s],s[s][s][s[s]][s][s]}
In[]:=
ToCombinatorMolecule[expr_]:=Molecule[StringReplace[ToString[FunctionToApplication[expr]],{"s""C",""""," """}]]
In[]:=
StringReplace[ToString[FunctionToApplication[s[s][s][s[s]][s][s]]],{"s""C",""""," """}]
Out[]=
CCC(CC)CC
In[]:=
ToCombinatorMolecule/@CombinatorEvolveList[s[s][s][s[s]][s][s],10]
Out[]=
Molecule
Formula:
C
7
H
16
Atoms:
23
Bonds:
22
,Molecule
Formula:
C
8
H
18
Atoms:
26
Bonds:
25
,Molecule
Formula:
C
8
H
18
Atoms:
26
Bonds:
25
,Molecule
Formula:
C
11
H
24
Atoms:
35
Bonds:
34
,Molecule
Formula:
C
11
H
24
Atoms:
35
Bonds:
34
,Molecule
Formula:
C
11
H
24
Atoms:
35
Bonds:
34
,Molecule
Formula:
C
12
H
26
Atoms:
38
Bonds:
37
,Molecule
Formula:
C
17
H
36
Atoms:
53
Bonds:
52
,Molecule
Formula:
C
25
H
52
Atoms:
77
Bonds:
76
,Molecule
Formula:
C
33
H
68
Atoms:
101
Bonds:
100
,Molecule
Formula:
C
41
H
84
Atoms:
125
Bonds:
124

In[]:=
MoleculePlot3D/@%
Out[]=

,
,
,
,
,
,
,
,
,
,
