Examples with SBMeasurable org.vcell.pathway.sbpax.SBMeasurable used on opensource projects

Example 1 with SBMeasurable

use of org.vcell.pathway.sbpax.SBMeasurable in project vcell by virtualcell.

the class PathwayTableModel method hasMeasuredData.

private boolean hasMeasuredData(Interaction interaction) {
    Set<SBEntity> subEntities = new HashSet<SBEntity>();
    subEntities.add(interaction);
    Set<Control> controls = BioPAXUtil.findAllControls(interaction, pathwayModel);
    subEntities.addAll(controls);
    subEntities = SBPAX3Util.extractAllEntities(subEntities);
    for (SBEntity subEntity : subEntities) {
        if (subEntity instanceof SBMeasurable) {
            return true;
        }
    }
    return false;
}

Example 2 with SBMeasurable

use of org.vcell.pathway.sbpax.SBMeasurable in project vcell by virtualcell.

the class BioPaxObjectPropertiesPanel method refreshInterface.

protected void refreshInterface() {
    if (bioPaxObject == null) {
        // sanity check
        return;
    }
    ArrayList<BioPaxObjectProperty> propertyList = new ArrayList<BioPaxObjectProperty>();
    if (!(bioPaxObject instanceof SBEntity)) {
        tableModel.setData(propertyList);
        return;
    }
    SBEntity sbEntity = (SBEntity) bioPaxObject;
    if (!(sbEntity instanceof Entity)) {
        tableModel.setData(propertyList);
        return;
    }
    Entity entity = (Entity) sbEntity;
    // entity::type
    propertyList.add(new BioPaxObjectProperty("Type", bioPaxObject.getTypeLabel()));
    if (lookupContains(entity)) {
        propertyList.add(new BioPaxObjectProperty("Name", entity.getName().get(0) + " (looking...)"));
    } else if (entity.getFormalNames() != null && entity.getFormalNames().size() != 0) {
        propertyList.add(new BioPaxObjectProperty("Name", entity.getName().get(0) + " (" + entity.getFormalNames().get(0) + ")"));
    } else if (entity.getName() != null && entity.getName().size() > 0) {
        String displayName = entity.getName().get(0);
        if (entity.getxRef() != null && entity.getxRef().size() > 0) {
            displayName = displayName + " (double-click lookup)";
        }
        // entity::name
        propertyList.add(new BioPaxObjectProperty("Name", displayName));
    }
    // entity::Link
    for (RelationshipObject rObject : bioModel.getRelationshipModel().getRelationshipObjects(bioPaxObject)) {
        BioModelEntityObject beObject = rObject.getBioModelEntityObject();
        String sType = beObject.getDisplayType();
        propertyList.add(new BioPaxObjectProperty("Linked physiology object (" + sType + ")", beObject.getName(), beObject));
    }
    if (entity instanceof PhysicalEntity) {
        // ------------------------ PHYSICAL ENTITY -----------------------
        PhysicalEntity physicalEntity = (PhysicalEntity) entity;
        // physicalEntity::feature (***ignored***)
        // physicalEntity::memberPhysicalEntity (***ignored***)
        // physicalEntity::notFeature (***ignored***)
        // TODO:  extract the kinetic law, then the SBEntities, then the measurables, units, aso
        boolean isReactionParticipant = BioPAXUtil.isReactionParticipant(physicalEntity, bioModel.getPathwayModel());
        String role = "";
        if (BioPAXUtil.isController(physicalEntity, bioModel.getPathwayModel())) {
            role += "Controller";
            if (isReactionParticipant) {
                role += ", Participant";
            }
        } else if (isReactionParticipant) {
            role += "Participant";
        }
        if (!role.isEmpty()) {
            propertyList.add(new BioPaxObjectProperty("Role(s)", role));
        }
        if (!(physicalEntity instanceof SmallMolecule)) {
            // physicalEntity::cellular location
            CellularLocationVocabulary cellularLocation = physicalEntity.getCellularLocation();
            if (cellularLocation != null && cellularLocation.getTerm() != null && cellularLocation.getTerm().size() > 0) {
                propertyList.add(new BioPaxObjectProperty("Cellular Location", cellularLocation.getTerm().get(0), cellularLocation));
            } else if (entity.getName() != null && entity.getName().size() > 1) {
                String location = entity.getName().get(1);
                if (location.contains("[") && location.contains("]")) {
                    location = location.substring(location.indexOf("[") + 1, location.indexOf("]"));
                    propertyList.add(new BioPaxObjectProperty("Cellular Location", location));
                }
            }
        }
        if (physicalEntity instanceof Complex) {
            Complex complex = (Complex) physicalEntity;
            // complex::components
            for (PhysicalEntity pe : complex.getComponents()) {
                propertyList.add(new BioPaxObjectProperty("Component", getEntityName(pe), pe));
            }
        } else if (physicalEntity instanceof Protein) {
        // Protein protein = (Protein)entity;
        // protein::entity reference (***ignored***)
        } else if (physicalEntity instanceof SmallMolecule) {
            SmallMolecule sm = (SmallMolecule) physicalEntity;
            EntityReference er = sm.getEntityReference();
            if (er != null && !er.getName().isEmpty() && er.getName().get(0) != null && !er.getName().get(0).isEmpty()) {
                propertyList.add(new BioPaxObjectProperty("Entity Reference", er.getName().get(0)));
                ArrayList<Xref> xrefList = er.getxRef();
                for (Xref xref : xrefList) {
                    propertyList.add(new BioPaxObjectProperty("   Xref", xref.getDb() + ":" + xref.getId(), xref));
                }
            }
        } else if (physicalEntity instanceof Dna) {
        // dna::entityReference (***ignored***)
        } else if (physicalEntity instanceof DnaRegion) {
        // dnaRegion::entityReference (***ignored***)
        } else if (physicalEntity instanceof Rna) {
        // rna::entityReference (***ignored***)
        } else if (physicalEntity instanceof RnaRegion) {
        // rnaRegion::entityReference (***ignored***)
        }
    } else if (entity instanceof Interaction) {
        // --------------------------- INTERACTION -------------------
        Interaction interaction = (Interaction) entity;
        // interaction::interactionType
        for (InteractionVocabulary interactionVocabulary : interaction.getInteractionTypes()) {
            if (interactionVocabulary.getTerm().size() > 0) {
                propertyList.add(new BioPaxObjectProperty("Interaction Type", interactionVocabulary.getTerm().get(0), interactionVocabulary));
            }
        }
        // interaction::participants
        for (InteractionParticipant interactionParticipant : interaction.getParticipants()) {
            PhysicalEntity physicalEntity = interactionParticipant.getPhysicalEntity();
            String physicalEntityName = physicalEntity.getName().size() > 0 ? physicalEntity.getName().get(0) : physicalEntity.getIDShort();
            String cellularLocation = "";
            if (physicalEntity.getCellularLocation() != null) {
                cellularLocation = physicalEntity.getCellularLocation().getTerm().size() > 0 ? " [" + physicalEntity.getCellularLocation().getTerm().get(0) + "]" : "";
            }
            propertyList.add(new BioPaxObjectProperty(interactionParticipant.getLevel3PropertyName(), physicalEntityName + cellularLocation, physicalEntity));
        }
        // get the controllers for interactions
        // we always need this because there's no guarantee we'll have kinetic laws
        // for instance pathway commons doesn't have quantitative information
        Set<String> controllersNames = getControllersNames(interaction);
        if (controllersNames.size() > 0) {
            for (String str : controllersNames) {
                // String tooltip = "<html>how many of these 12 M <br>average size  1.12345*E12 nm <br>temperature 37 degrees Celsius</html>";
                String tooltip = "";
                propertyList.add(new BioPaxObjectProperty("Controlled by", str, interaction, tooltip));
            }
        }
        // get the kinetic laws (if any)
        Set<Control> controls = BioPAXUtil.getControlsOfInteraction(interaction, bioModel.getPathwayModel());
        for (Control control : controls) {
            ArrayList<SBEntity> sbEntities = control.getSBSubEntity();
            for (SBEntity sbE : sbEntities) {
                // the only SBSubEntities allowed in a control are kinetic laws
                if (sbE.getID().contains("kineticLaw")) {
                    String str = new String();
                    if (control.getPhysicalControllers() != null) {
                        str += " for Controller(s): ";
                        for (PhysicalEntity ep : control.getPhysicalControllers()) {
                            if (ep.getName().size() > 0) {
                                str += ep.getName().get(0);
                            } else {
                                str += ep.getIDShort();
                            }
                            str += " ";
                        }
                    }
                    String sDetails = "";
                    ArrayList<SBVocabulary> sbTerms = sbE.getSBTerm();
                    for (SBVocabulary sbv : sbTerms) {
                        // type of kinetic law
                        String str1 = sbv.getID();
                        str1 = str1.substring(str1.lastIndexOf('#') + 1);
                        System.out.println(str1);
                        SBOTerm sboT = SBOListEx.sboMap.get(str1);
                        sDetails += "<font color=\"#660000\"><b>" + sboT.getName() + "</b></font>" + "  " + "<font color=\"#006600\">" + sboT.getDescription() + "</font>";
                        sDetails += "<br>";
                    }
                    ArrayList<SBEntity> klProperties = sbE.getSBSubEntity();
                    for (SBEntity klProperty : klProperties) {
                        if (klProperty instanceof SBMeasurable) {
                            SBMeasurable m = (SBMeasurable) klProperty;
                            String str1 = "";
                            String str2 = "";
                            String str3 = "";
                            if (m.hasTerm()) {
                                str1 += m.extractSBOTermAsString();
                            }
                            if (m.hasNumber()) {
                                str2 += m.getNumber().get(0);
                            }
                            if (m.hasUnit()) {
                                str3 += m.extractSBOUnitAsString();
                            }
                            // str1 is an SBO id, for example "SBO:0000064"
                            SBOTerm sboT = SBOListEx.sboMap.get(str1);
                            sDetails += sboT.getSymbol() + "   (" + sboT.getName() + ")" + "<font color=\"#660000\"><b>" + str2 + str3 + "</b></font>" + "  " + "<font color=\"#006600\">" + sboT.getDescription() + "</font>";
                        } else {
                            sDetails = klProperty.getIDShort() + "  " + klProperty.getTypeLabel();
                        }
                        sDetails += "<br>";
                    }
                    // String tooltip = "<html>how many of these 12 M <br>average size  1.12345*E12 nm <br>temperature 37 degrees Celsius</html>";
                    String tooltip = "";
                    BioPaxObjectProperty bpop = new BioPaxObjectProperty("Kinetic Law" + str, sbE.getID(), sbE, tooltip);
                    bpop.setDetails(sDetails);
                    propertyList.add(bpop);
                }
            }
        }
        if (interaction instanceof Control) {
            // TODO: is this ever being called?
            Control c = (Control) interaction;
            // catalysis::controlled
            Interaction controlledInteraction = c.getControlledInteraction();
            if (controlledInteraction != null) {
                String controlledName = controlledInteraction.getIDShort();
                if (controlledInteraction.getName().size() > 0) {
                    controlledName = controlledInteraction.getName().get(0);
                }
                propertyList.add(new BioPaxObjectProperty("Controlled Interaction", controlledName, controlledInteraction));
            }
        }
    } else if (entity instanceof GroupObject) {
        // ---------------------- GROUP OBJECT ------------------
        GroupObject groupObject = (GroupObject) entity;
        for (BioPaxObject bpo : groupObject.getGroupedObjects()) {
            propertyList.add(new BioPaxObjectProperty("Element::" + bpo.getTypeLabel(), getEntityName((Entity) bpo), bpo));
        }
    }
    // entity::comments
    for (String comment : entity.getComments()) {
        propertyList.add(new BioPaxObjectProperty("Comment", comment));
    }
    // entity::xRef
    ArrayList<Xref> xrefList = ((Entity) bioPaxObject).getxRef();
    for (Xref xref : xrefList) {
        if (xref instanceof UnificationXref) {
            propertyList.add(new BioPaxObjectProperty("Xref", xref.getDb() + ":" + xref.getId(), xref));
        }
    }
    for (Xref xref : xrefList) {
        if (xref instanceof RelationshipXref) {
            propertyList.add(new BioPaxObjectProperty("Xref (related)", xref.getDb() + ":" + xref.getId(), xref));
        }
    }
    for (Xref xref : xrefList) {
        if (xref instanceof PublicationXref) {
            propertyList.add(new BioPaxObjectProperty("Publication", xref.getDb() + ":" + xref.getId(), xref));
        }
    }
    // for(SBVocabulary sbVocab : sbEntity.getSBTerm()) {
    // propertyList.add(new BioPaxObjectProperty("SBO Term", SBPAXLabelUtil.makeLabel(sbVocab)));
    // }
    // if(sbEntity instanceof Interaction) {
    // // TODO: this goes away
    // Interaction interaction = (Interaction) sbEntity;
    // Set<SBEntity> subEntities = new HashSet<SBEntity>();
    // subEntities.add(interaction);
    // Set<Control> controls = BioPAXUtil.findAllControls(interaction, bioModel.getPathwayModel());
    // subEntities.addAll(controls);
    // subEntities = SBPAX3Util.extractAllEntities(subEntities);
    // for(SBEntity subEntity : subEntities) {
    // if(subEntity instanceof SBMeasurable) {
    // propertyList.add(new BioPaxObjectProperty("Measured quantity", SBPAXLabelUtil.makeLabel(subEntity)));
    // }
    // }
    // }
    tableModel.setData(propertyList);
}

Example 3 with SBMeasurable

use of org.vcell.pathway.sbpax.SBMeasurable in project vcell by virtualcell.

the class SBPAXKineticsExtractor method extractKineticsExactMatch.

public static boolean extractKineticsExactMatch(ReactionStep reaction, Process process) throws ExpressionException, PropertyVetoException {
    // we try a perfect match first based on the existence of a SBOTerm in the kinetic law
    if (process.getControl() == null) {
        // no control means no kinetic law - nothing more to do
        return true;
    }
    Control control = process.getControl();
    ArrayList<SBEntity> sbEntities = control.getSBSubEntity();
    for (SBEntity sbE : sbEntities) {
        // the only SBSubEntities allowed in a control are kinetic laws
        if (sbE.getID().contains("kineticLaw")) {
            // build list of the parameters of this kinetic law in sboParams
            // params of this kinetic law
            ArrayList<SBOParam> sboParams = new ArrayList<SBOParam>();
            ArrayList<SBEntity> subEntities = sbE.getSBSubEntity();
            for (SBEntity subEntity : subEntities) {
                if (subEntity instanceof SBMeasurable) {
                    SBMeasurable m = (SBMeasurable) subEntity;
                    if (!m.hasTerm()) {
                        // we don't know what to do with a measurable with no SBTerm
                        break;
                    }
                    String termName = m.extractSBOTermAsString();
                    SBOTerm sboT = SBOListEx.sboMap.get(termName);
                    System.out.println("    " + sboT.getIndex() + "  " + sboT.getName());
                    SBOParam sboParam = matchSBOParam(sboT);
                    if (m.hasNumber()) {
                        double number = m.getNumber().get(0);
                        sboParam.setNumber(number);
                    }
                    if (m.hasUnit()) {
                        String unit = m.extractSBOUnitAsString();
                        sboParam.setUnit(unit);
                    }
                    sboParams.add(sboParam);
                }
            }
            // find if a kinetic law type exists and if not guesstimate one based on parameters
            // simple rule: if we have a Km param it's MM, otherwise it's mass action
            ArrayList<SBVocabulary> sbTerms = sbE.getSBTerm();
            if (sbTerms.isEmpty()) {
                // return false;
                SBVocabulary sbTerm = new SBVocabulary();
                ArrayList<String> termNames = new ArrayList<String>();
                String id;
                SBOParam kMichaelis = extractMichaelisForwardParam(sboParams);
                if (kMichaelis == null) {
                    // mass action rate law
                    id = new String("SBO:0000012");
                } else {
                    // irreversible Henri-Michaelis-Menten rate law
                    id = new String("SBO:0000029");
                }
                // termNames.add(id);
                // sbTerm.setTerm(termNames);
                sbTerm.setID(id);
                sbTerms.add(sbTerm);
            }
            System.out.println(" kinetic law ID: " + sbTerms.get(0).getID());
            // identify the kinetic law type (mass action, michaelis menten, etc) and bring it in vCell
            for (SBVocabulary sbv : sbTerms) {
                // use for loop even though we only expect 1 SBTerm
                // SBVocabulary id, used to retrieve the kinetic law type
                String vocabularyID = sbv.getID();
                SBOTerm sboT = SBOUtil.getSBOTermFromVocabularyId(vocabularyID);
                System.out.println(vocabularyID + "   " + sboT.getName());
                SBOParam kForward;
                SBOParam kCat;
                SBOParam vM;
                SBOParam kReverse;
                SBOParam kMichaelis;
                Kinetics kinetics;
                MappedKinetics current = matchSBOKineticLaw(sboT);
                switch(current) {
                    case SBO_0000069:
                    case SBO_0000432:
                        // some kinetic laws unknown to vCell will fall through to this category
                        // honestly i don't know what to do with them
                        System.out.println("GeneralKinetics");
                        // TODO: what to do here?
                        return true;
                    case SBO_0000012:
                    case SBO_0000078:
                        System.out.println("MassActionKinetics - reversible");
                        kForward = extractKForwardParam(sboParams);
                        kReverse = extractKReverseParam(sboParams);
                        kinetics = new MassActionKinetics(reaction);
                        reaction.setKinetics(kinetics);
                        setKForwardParam(reaction, kForward, kinetics);
                        setKReverseParam(reaction, kReverse, kinetics);
                        return true;
                    case SBO_0000043:
                        System.out.println("MassActionKinetics - zeroth order irreversible, Kr <- 0  ");
                        kForward = extractKForwardParam(sboParams);
                        kinetics = new MassActionKinetics(reaction);
                        // TODO: what to do here?
                        return true;
                    case SBO_0000044:
                        System.out.println("MassActionKinetics - first order irreversible, Kr <- 0  ");
                        kForward = extractKForwardParam(sboParams);
                        kinetics = new MassActionKinetics(reaction);
                        reaction.setKinetics(kinetics);
                        setKForwardParam(reaction, kForward, kinetics);
                        return true;
                    case SBO_0000028:
                    case SBO_0000029:
                        System.out.println("HMM_IRRKinetics");
                        // TODO: make kCat global variable, set its number and unit in annotation
                        // TODO: make vM global variable, set its number and unit in annotation
                        // get the numbers, if present (may be null)
                        kMichaelis = extractMichaelisForwardParam(sboParams);
                        vM = extractVMForwardParam(sboParams, process);
                        kCat = extractKCatForwardParam(sboParams);
                        kinetics = new HMM_IRRKinetics((SimpleReaction) reaction);
                        try {
                            // TODO: create expression only if kCat != null, otherwise use vM directly (if != null) otherwise ???
                            kinetics.reading(true);
                            setVMForwardParamAsExpression(reaction, kCat, kinetics);
                        } finally {
                            kinetics.reading(false);
                        }
                        reaction.setKinetics(kinetics);
                        setMichaelisForwardParam(reaction, kMichaelis, kinetics);
                        return true;
                    case SBO_0000438:
                        System.out.println("HMMREVKinetics");
                        kinetics = new HMM_REVKinetics((SimpleReaction) reaction);
                        return true;
                    default:
                        // TODO: guessing happens above - if we have nothing by now we need to raise runtime exception
                        // change the code below !!!
                        System.out.println("Unable to match the SBOTerm with any compatible kinetic law.");
                        // found unmapped kinetic law, we'll try to guess a match
                        return false;
                }
            }
        }
    }
    // no SBTerm found so we cannot know for sure the kinetic law, we'll have to guess it
    return false;
}

Example 4 with SBMeasurable

use of org.vcell.pathway.sbpax.SBMeasurable in project vcell by virtualcell.

the class PathwayReaderBiopax3 method addObjectSBMeasurable.

private SBMeasurable addObjectSBMeasurable(Element element) {
    if (element.getChildren().size() == 0) {
        SBMeasurableProxy proxy = new SBMeasurableProxy();
        addAttributes(proxy, element);
        pathwayModel.add(proxy);
        return proxy;
    }
    SBMeasurable sbSubEntity = new SBMeasurable();
    addAttributes(sbSubEntity, element);
    for (Object child : element.getChildren()) {
        if (child instanceof Element) {
            Element childElement = (Element) child;
            if (!addContentSBMeasurable(sbSubEntity, element, childElement)) {
                showUnexpected(childElement);
            }
        }
    }
    pathwayModel.add(sbSubEntity);
    return sbSubEntity;
}

Example 5 with SBMeasurable

use of org.vcell.pathway.sbpax.SBMeasurable in project vcell by virtualcell.

the class PathwayProducerBiopax3 method addContentSBMeasurable.

private Element addContentSBMeasurable(BioPaxObject bpObject, Element element) {
    element = addContentUtilityClass(bpObject, element);
    SBMeasurable ob = (SBMeasurable) bpObject;
    Element tmpElement = null;
    if (ob.getUnit() != null && ob.getUnit().size() > 0) {
        List<UnitOfMeasurement> list = ob.getUnit();
        for (UnitOfMeasurement item : list) {
            tmpElement = new Element("hasUnit", sbx3);
            String id = item.getID();
            if (URIUtil.isAbsoluteURI(id)) {
                tmpElement.setAttribute("resource", context.relativizeURI(tmpElement, id), rdf);
            } else {
                tmpElement.setAttribute("nodeID", id, rdf);
            }
            mustPrintObject(item);
            element.addContent(tmpElement);
        }
    }
    if (ob.getSBTerm() != null && ob.getSBTerm().size() > 0) {
        List<SBVocabulary> list = ob.getSBTerm();
        for (SBVocabulary item : list) {
            tmpElement = new Element("sbTerm", sbx3);
            addIDToProperty(tmpElement, item);
            mustPrintObject(item);
            element.addContent(tmpElement);
        }
    }
    if (ob.getNumber() != null && ob.getNumber().size() > 0) {
        List<Double> list = ob.getNumber();
        for (Double item : list) {
            tmpElement = new Element("hasNumber", sbx3);
            tmpElement.setAttribute("datatype", schemaDouble, rdf);
            tmpElement.setText(item.toString());
            element.addContent(tmpElement);
        }
    }
    return element;
}