Dear all
this SMARTS query
this.xQuery_263 = SMARTSParser.parse("Li-H");
raises the following exception:
do you know any solution?
Thanks in advance.
Regards,
GF.
org.openscience.cdk.exception.CDKException: The string Li-H is not a
valid SMARTS string: Encountered "Li" at line 1, column 1.
Was expecting one of:
"c" ...
"n" ...
"o" ...
"s" ...
"p" ...
"as" ...
"se" ...
"B" ...
"C" ...
"N" ...
"O" ...
"F" ...
"P" ...
"S" ...
"Cl" ...
"Br" ...
"I" ...
"*" ...
"a" ...
"A" ...
"(" ...
"[" ...
">>" ...
">" ...
at
org.openscience.cdk.smiles.smarts.parser.SMARTSParser.parse(SMARTSParser.java:81)
at MACCS881Generator.<init>(MACCS881Generator.java:2644)
at MACCS881Generator.main(MACCS881Generator.java:6525)
Caused by: org.openscience.cdk.smiles.smarts.parser.ParseException:
Encountered "Li" at line 1, column 1.
Was expecting one of:
"c" ...
"n" ...
"o" ...
"s" ...
"p" ...
"as" ...
"se" ...
"B" ...
"C" ...
"N" ...
"O" ...
"F" ...
"P" ...
"S" ...
"Cl" ...
"Br" ...
"I" ...
"*" ...
"a" ...
"A" ...
"(" ...
"[" ...
">>" ...
">" ...
at
org.openscience.cdk.smiles.smarts.parser.SMARTSParser.generateParseException(SMARTSParser.java:2765)
at
org.openscience.cdk.smiles.smarts.parser.SMARTSParser.jj_consume_token(SMARTSParser.java:2636)
at
org.openscience.cdk.smiles.smarts.parser.SMARTSParser.ReactionExpression(SMARTSParser.java:241)
at
org.openscience.cdk.smiles.smarts.parser.SMARTSParser.Start(SMARTSParser.java:129)
at
org.openscience.cdk.smiles.smarts.parser.SMARTSParser.parse(SMARTSParser.java:76)
... 2 more
-------------------------------------------------------------------------
SF.Net email is sponsored by: The Future of Linux Business White Paper
from Novell. From the desktop to the data center, Linux is going
mainstream. Let it simplify your IT future.
http://altfarm.mediaplex.com/ad/ck/8857-50307-18918-4
_______________________________________________
Cdk-user mailing list
Cdk-user@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/cdk-user
