SmilesParser class
A parser for SMILES (Simplified Molecular Input Line Entry System) notation.
SMILES is a string notation used to describe the structure of chemical species.
Constructors
Properties
- hashCode → int
-
The hash code for this object.
no setterinherited
- runtimeType → Type
-
A representation of the runtime type of the object.
no setterinherited
Methods
-
noSuchMethod(
Invocation invocation) → dynamic -
Invoked when a nonexistent method or property is accessed.
inherited
-
toString(
) → String -
A string representation of this object.
inherited
Operators
-
operator
==(
Object other) → bool -
The equality operator.
inherited
Static Methods
-
getDetailedInfo(
String smiles) → Future< Map< String, dynamic> > - Get detailed information about a molecule from its SMILES string using PubChem
-
isValid(
String smiles) → bool - Validate if a SMILES string is valid
-
parse(
String smiles) → Map< String, dynamic> - Parses a SMILES string and returns structural information about the molecule.
Constants
- chempubBaseUrl → const String
- Base URL for PubChem API