Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
Getting Started Generating Isomers | |
The paclet contains a number of closely related functions, which take a similar set of options.
IsomerGeneration
generates isomers asynchrounously and serializes them to disk as "SMILES" | |
a symbolic wrapper for the serialized "SMILES" | |
generate isomers synchronously and returns them directly as a list, calls internally | |
just count the isomers, do not serialize them |
Functions for generating isomers.
The distinct usage for these functions is shown below:
In[1]:=
 | CountIsomers |
Out[1]=
72534
In[2]:=
Length
["C8H14O2"]
| ListIsomers |
Out[2]=
72534
In[3]:=
| GenerateIsomers |
Out[3]=
Isomers
| C 8 H 14 O 2 |
|
In[4]:=
Length[ReadList[%]]
Out[4]=
72534
 |
|
""