com.chemaxon.descriptors.fingerprints.maccs

Class SmaInterpreter

java.lang.Object

com.chemaxon.descriptors.fingerprints.maccs.SmaInterpreter

public final class SmaInterpreter
extends Object

Deal with some recursive SMARTS strings which are not correctly imported yet. Alternative structures are stored as an array for MACCS fingerprint generation, therefore the corresponding pieces should be provided and it is done here, through static methods.

Constructor Summary

Constructors

Constructor and Description
SmaInterpreter()

Method Summary

Modifier and Type	Method and Description
static String	getDelimited(String txt, int st, String begDelim, boolean remDel) Get the next bracketed substring which starts with begDelim bracket-like character and ends with the corresponding terminating bracket-like character, found automatically here.
static String[]	getPieces(String inp) This method finds automatically the pieces in the recursive SMARTS string and gives them back as an array, so they will be imported as a molecule and not as a query string.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

SmaInterpreter

public SmaInterpreter()

Method Detail

getPieces

public static String[] getPieces(String inp)

This method finds automatically the pieces in the recursive SMARTS string and gives them back as an array, so they will be imported as a molecule and not as a query string. The method is not general, however works well for the SMARTS definitions, defined in the MACCS fingerprint generator. The returned pieces should be validated.

Parameters:

inp - recursive SMARTS

Returns:

Array of importable pieces.

getDelimited

public static String getDelimited(String txt,
                                  int st,
                                  String begDelim,
                                  boolean remDel)

Get the next bracketed substring which starts with begDelim bracket-like character and ends with the corresponding terminating bracket-like character, found automatically here.

Parameters:

txt - The string containing the pieces, if null, given back

st - The starting position, should be the position of begDen

begDelim - Beginning delimiter

remDel - if true remove the delimiters from te result

Returns:

the next piece