Examples with Membrane cbit.vcell.model.Membrane used on opensource projects

Example 76 with Membrane

use of cbit.vcell.model.Membrane in project vcell by virtualcell.

the class ModelDbDriver method insertModel.

/**
 * This method was created in VisualAge.
 * @param model cbit.vcell.model.Model
 */
private void insertModel(InsertHashtable hash, Connection con, User user, Model model, Version newVersion) throws SQLException, DataAccessException, RecordChangedException {
    // 
    // insert model record
    // 
    insertModelSQL(con, user, model, newVersion);
    hash.put(model, newVersion.getVersionKey());
    // 
    // make sure all species are in the database and the hashtable
    // 
    StructureTopology structureTopology = model.getStructureTopology();
    ElectricalTopology electricalTopology = model.getElectricalTopology();
    Species[] speciesArray = model.getSpecies();
    for (int i = 0; i < speciesArray.length; i++) {
        // speciesArray[i].getKey();
        KeyValue speciesKey = null;
        // if (speciesKey == null) {
        speciesKey = reactStepDB.insertSpecies(hash, con, speciesArray[i], user);
        // throw new DataAccessException("Database error: species "+species.getName()+" has null key");
        // }else if (speciesArray[i].getOwnerKey()!=null && speciesArray[i].getOwnerKey()==user.getID()){
        // reactStepDB.updateSpecies(con,speciesArray[i],user);
        // }
        // if (hash.getDatabaseKey(speciesArray[i])==null){
        hash.put(speciesArray[i], speciesKey);
    // }
    }
    // 
    // make sure all structures are in the database and the hashtable (add entry to link table)
    // this does not populate the parent, negativeFeature, and positiveFeature columns ... done later with updateStructureKeys()
    // 
    Structure[] structures = model.getStructures();
    for (int i = 0; i < structures.length; i++) {
        Structure structure = (Structure) structures[i];
        KeyValue structureKey = null;
        if (hash.getDatabaseKey(structure) == null) {
            structureKey = reactStepDB.insertStructure(hash, con, structure);
        }
        KeyValue linkKey = keyFactory.getNewKey(con);
        insertModelStructLinkSQL(con, linkKey, newVersion.getVersionKey(), /*modelKey*/
        hash.getDatabaseKey(structure));
    }
    // 
    for (Structure structure : structures) {
        KeyValue structKey = hash.getDatabaseKey(structure);
        KeyValue parentKey = null;
        Structure parentStruct = structureTopology.getParentStructure(structure);
        if (parentStruct != null) {
            parentKey = hash.getDatabaseKey(parentStruct);
        }
        KeyValue negKey = null;
        KeyValue posKey = null;
        if (structure instanceof Membrane) {
            Membrane membrane = (Membrane) structure;
            Feature negFeature = electricalTopology.getNegativeFeature(membrane);
            if (negFeature != null) {
                negKey = hash.getDatabaseKey(negFeature);
            }
            Feature posFeature = electricalTopology.getPositiveFeature(membrane);
            if (posFeature != null) {
                posKey = hash.getDatabaseKey(posFeature);
            }
        }
        StructureKeys structureKeys = new StructureKeys(structKey, parentKey, posKey, negKey);
        reactStepDB.updateStructureKeys(con, structureKeys);
    }
    // 
    // make sure all speciesContexts are in database and the hashtable
    // 
    SpeciesContext[] speciesContexts = model.getSpeciesContexts();
    for (int i = 0; i < speciesContexts.length; i++) {
        SpeciesContext sc = speciesContexts[i];
        if (hash.getDatabaseKey(sc) == null) {
            insertSpeciesContextSQL(hash, con, keyFactory.getNewKey(con), sc, newVersion.getVersionKey());
        }
    }
    // 
    // insert all reactionSteps
    // 
    ReactionStep[] reactionSteps = model.getReactionSteps();
    for (int i = 0; i < reactionSteps.length; i++) {
        ReactionStep rs = reactionSteps[i];
        if (hash.getDatabaseKey(rs) == null) {
            reactStepDB.insertReactionStep(hash, con, user, rs, newVersion.getVersionKey());
        }
    }
    // 
    // insert diagrams
    // 
    Diagram[] diagrams = model.getDiagrams();
    for (int i = 0; i < diagrams.length; i++) {
        Diagram diagram = diagrams[i];
        KeyValue key = keyFactory.getNewKey(con);
        KeyValue structKey = hash.getDatabaseKey(diagram.getStructure());
        if (structKey != null) {
            insertDiagramSQL(con, key, diagram, newVersion.getVersionKey(), /*modelKey*/
            hash.getDatabaseKey(diagram.getStructure()));
        } else {
            if (lg.isWarnEnabled())
                lg.warn("ModelDbDriver.insertModel(),  diagram " + diagram.toString() + " is orphaned, check Model logic");
        }
    }
    // 
    // insert GlobalModelParameters
    // 
    // //-----------------testing remove
    // try{
    // Model.ModelParameter testParam = model.new ModelParameter("test",new Expression("1.0"),Model.ROLE_UserDefined,VCUnitDefinition.UNIT_molecules);
    // model.setModelParameters(new Model.ModelParameter[] {testParam});
    // }catch(Exception e){
    // e.printStackTrace();
    // }
    // //-----------------
    GlobalModelParameterTable.table.insertModelParameters(con, keyFactory, model.getModelParameters(), newVersion.getVersionKey());
}

Example 77 with Membrane

use of cbit.vcell.model.Membrane in project vcell by virtualcell.

the class ReactStepTable method getReactionStep.

/**
 * This method was created in VisualAge.
 * @return cbit.vcell.model.ReactionParticipant
 * @param rset java.sql.ResultSet
 */
public ReactionStep getReactionStep(Structure structure, Model model, KeyValue rsKey, java.sql.ResultSet rset, DatabaseSyntax dbSyntax) throws java.sql.SQLException, DataAccessException {
    KeyValue key = rsKey;
    if (rset.wasNull()) {
        key = null;
    }
    String reactType = rset.getString(ReactStepTable.table.reactType.toString());
    String reactionStepName = null;
    String nameString = rset.getString(ReactStepTable.table.name.toString());
    if (rset.wasNull()) {
        nameString = null;
    }
    if (nameString != null) {
        reactionStepName = TokenMangler.getSQLRestoredString(nameString);
    }
    ReactionStep rs = null;
    try {
        if (reactType.equals(ReactStepTable.REACTTYPE_FLUX_REVERSIBLE)) {
            rs = new FluxReaction(model, (Membrane) structure, key, reactionStepName, true);
        } else if (reactType.equals(ReactStepTable.REACTTYPE_FLUX_IRREVERSIBLE)) {
            rs = new FluxReaction(model, (Membrane) structure, key, reactionStepName, false);
        } else if (reactType.equals(ReactStepTable.REACTTYPE_SIMPLE_REVERSIBLE)) {
            rs = new SimpleReaction(model, structure, key, reactionStepName, true);
        } else if (reactType.equals(ReactStepTable.REACTTYPE_SIMPLE_IRREVERSIBLE)) {
            rs = new SimpleReaction(model, structure, key, reactionStepName, false);
        }
    } catch (java.beans.PropertyVetoException e) {
        e.printStackTrace(System.out);
        throw new DataAccessException(e.getMessage());
    }
    // 
    // if valence is stored as a 'null', it was an error (previous models were updated administratively).
    // 
    int valenceValue = rset.getInt(ReactStepTable.table.chargeValence.toString());
    if (rset.wasNull()) {
        throw new DataAccessException("unexpected null for chargeValence");
    }
    // 
    // New procedure for getting kinetics
    // 
    String kinetics_vcml = DbDriver.varchar2_CLOB_get(rset, ReactStepTable.table.kineticsSmall, ReactStepTable.table.kineticsLarge, dbSyntax);
    if (kinetics_vcml == null || kinetics_vcml.length() == 0) {
        throw new DataAccessException("no data stored for kinetics");
    }
    // This isn't needed?
    // if (kinetics_vcml.endsWith(";}\n")){
    // StringBuffer buffer = new StringBuffer(kinetics_vcml.substring(0,kinetics_vcml.length()-2));
    // buffer.append("\n}\n");
    // kinetics_vcml = buffer.toString();
    // }
    org.vcell.util.CommentStringTokenizer tokens = new org.vcell.util.CommentStringTokenizer(kinetics_vcml);
    Kinetics kinetics = null;
    try {
        String token = tokens.nextToken();
        if (!token.equalsIgnoreCase(VCMODL.Kinetics)) {
            throw new DataAccessException("expected " + VCMODL.Kinetics);
        }
        token = tokens.nextToken();
        KineticsDescription kineticsDescription = KineticsDescription.fromVCMLKineticsName(token);
        if (kineticsDescription != null) {
            kinetics = kineticsDescription.createKinetics(rs);
        } else {
            throw new DataAccessException("expected valid kinetics type, read '" + token + "'");
        }
        kinetics.fromTokens(kinetics_vcml);
        // 
        // for debug purposes only, remove when unresolvedParameters are ok ... when globals exist
        // 
        // if (kinetics.getUnresolvedParameters().length!=0){
        // System.out.println("<<<WARNING>>> ReactStepTable.getReactionStep(key="+rsKey+") has "+kinetics.getUnresolvedParameters().length+" UnresolvedParameters");
        // for (int i = 0; i < kinetics.getUnresolvedParameters().length; i++){
        // System.out.println(">>>>>>>>>>>>> UnresolvedParameter["+i+"] = "+kinetics.getUnresolvedParameters()[i].toString());
        // }
        // }
        KineticsParameter chargeValenceParameter = kinetics.getChargeValenceParameter();
        if (chargeValenceParameter != null) {
            chargeValenceParameter.setExpression(new cbit.vcell.parser.Expression(valenceValue));
        }
    } catch (Exception e) {
        lg.error(e.getMessage(), e);
        throw new DataAccessException(e.getMessage());
    }
    rs.setKinetics(kinetics);
    // 
    // if physicsOptions is stored as a 'null', it was an error (previous models were updated administratively).
    // 
    int physicsOptionsValue = rset.getInt(ReactStepTable.table.physicsOptions.toString());
    if (rset.wasNull()) {
        throw new DataAccessException("unexpected null for physicsOptions");
    }
    try {
        rs.setPhysicsOptions(physicsOptionsValue);
    } catch (java.beans.PropertyVetoException e) {
        e.printStackTrace(System.out);
    }
    String annot = rset.getString(ReactStepTable.table.annotation.getUnqualifiedColName());
    if (!rset.wasNull()) {
    // annot = TokenMangler.getSQLRestoredString(annot);
    // rs.setAnnotation(annot);
    }
    return rs;
}