User f564ccf382
23-05-2006 11:37:03
I have written my own java code which takes in a MOLECULE in string format, e.g. c1ccccc1. Then, its logP, molecular weight, number of H-bond acceptors etc are calculated using the plugins. How can I EXPORT these results to a C++ file.? The molecule is created in TEST.cpp , which includes the following code;
system("cd /root/ChemAxon/MarvinBeans/lib/ ; java chemaxon.marvin.calculations.My_MolCalculator_Two >> /home/ChemaxonTest.txt")
In the above code segment, My_MolCalculator_Two includes all the plugin code. When I run the above code fragment on the command line it works fine. But, I want to pass back the results via the code itself.
I would appreciate any help or advice concerning this probken.
Regards,
Miriam
system("cd /root/ChemAxon/MarvinBeans/lib/ ; java chemaxon.marvin.calculations.My_MolCalculator_Two >> /home/ChemaxonTest.txt")
In the above code segment, My_MolCalculator_Two includes all the plugin code. When I run the above code fragment on the command line it works fine. But, I want to pass back the results via the code itself.
I would appreciate any help or advice concerning this probken.
Regards,
Miriam