Total results: 155
The Evaluator class provides an interface to the Chemical Terms library. It requires the creation of a ChemJEP object. ChemJEP is the actual expression parser/ ...
Usage. The command line tool evaluate evaluates a single expression and prints the result in human readable text format or else outputs the input molecule with ...
These examples refer to a molecule context and applies the Chemical Terms Evaluator command line tool and chemical expression evaluation and filtering in JChem ...
Evaluate Chemical Terms expression * * For API example see * https://chemaxon.com/jchem/doc/dev/java/api/chemaxon/jep/Evaluator.html * * Usage: * 1.
The examples are divided into three groups: Structure-based calculations (plugin calculations), Functions, Matching conditions.
... Evaluator evaluator = new Evaluator() chemJEP = evaluator.compile("pKa('acidic','1')", MolContext.class) MolContext context = new MolContext() context ...
an expression string evaluated by the command line version of Evaluator ... evaluators and min-max evaluators). a reaction condition can refer to a reactant ...
MarvinSketch is an advanced chemical editor for drawing chemical structures, queries, and reactions. It has a rich (and growing) list of editing features.
xml configuration file. Create your own instance of the evaluator.xml file in the MarvinBeans/config directory (see the Evaluator manual for alternative ...
evaluator functions : functions containing an inner expression string as parameter - evaluate this expression for each atom in an atom context, examples ...