A B C D E F G H I J L M N P R S T U V W

P

parseReactionSmiles(String) - Method in class de.modlab.smilib.main.SmilesParser

Description of the Method

parseSmiles(String) - Method in class de.modlab.smilib.main.SmilesParser

Parses a SMILES string and returns a Molecule object.

PartialCombinationIterator - Class in de.modlab.smilib.iterator

Iterator for the molecules defined in a reaction scheme.

PartialCombinationIterator(String, int[], int, int) - Constructor for class de.modlab.smilib.iterator.PartialCombinationIterator

Creates a new instance of PartialCombinationIterator

PartialCombinationIterator(String[], int[], int, int) - Constructor for class de.modlab.smilib.iterator.PartialCombinationIterator

Creates a new instance of PartialCombinationIterator

Preprocessor - Class in de.modlab.smilib.io

Preprocesses SMILES so that they can be used by SmiLib.

Preprocessor() - Constructor for class de.modlab.smilib.io.Preprocessor

Creates a new instance of Preprocessor.

preprocessSmiles(String) - Method in class de.modlab.smilib.io.Preprocessor

Performs preprocessing.

printHelp() - Method in class de.modlab.smilib.main.SmiLib

Shows help for SmiLib usage.

printUsage() - Method in class de.modlab.smilib.main.SmiLib

Prints the command line usage of this program.