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Sam Adams committed f61833a

Fixed NWChem Log File link

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  • Parent commits ba85137

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Files changed (3)

File compchem-common/src/main/java/net/chempound/compchem/rdf/CompChemCalculation.java

 
     URI getCmlFile();
 
-    URI getLogFile();
+    URI getNWChemLogFile();
 
-    URI getInputFile();
+    URI getGaussianLogFile();
 
+    URI getGaussianInputFile();
+
+    URI getRdfXmlFile();
 
     boolean hasDiople();
     boolean hasMultipole();

File compchem-common/src/main/java/net/chempound/compchem/rdf/impl/CompChemCalculationImpl.java

         return null;
     }
 
-    public URI getLogFile() {
+    public URI getNWChemLogFile() {
+        final String mime = "chemical/x-nwchem-log";
+        return findResource(mime);
+    }
+
+    public URI getGaussianLogFile() {
         final String mime = "chemical/x-gaussian-log";
         return findResource(mime);
     }
 
-    public URI getInputFile() {
+    public URI getGaussianInputFile() {
         final String mime = "chemical/x-gaussian-input";
         return findResource(mime);
     }
 
-
     public String getCmlPath() {
         final URI html = getHtmlFile();
         final URI cml = getCmlFile();
     }
 
     public URI getRdfXmlFile() {
-        for (final Resource r : getResourceMaps()) {
+        for (final Resource r : getAggregatedResources()) {
             if (r.getURI().endsWith("rdf")) {
                 return URI.create(r.getURI());
             }
         return null;
     }
 
-    public URI getRdfN3File() {
-        for (final Resource r : getResourceMaps()) {
-            if (r.getURI().endsWith("n3")) {
-                return URI.create(r.getURI());
-            }
-        }
-        return null;
-    }
-
-
     @Override
     public String getPackageName() {
         return getPropertyStringValue(CompChem.packageName);

File compchem-handler/src/main/resources/net/chempound/compchem/templates/comp.ftl

 
         <ul class="files">
             <li><a href="${calculation.cmlFile}">Chemical Markup Language</a></li>
-<#if calculation.inputFile??><li><a href="${calculation.inputFile}">Gaussian Input</a></li></#if>
-<#if calculation.logFile??><li><a href="${calculation.logFile}">Gaussian Log File</a></li></#if>
-            <li><a href="${calculation.rdfXmlFile}">RDF XML</a> / <a href="${calculation.rdfN3File}">RDF N3</a></li>
+<#if calculation.gaussianInputFile??><li><a href="${calculation.inputFile}">Gaussian Input</a></li></#if>
+<#if calculation.gaussianLogFile??><li><a href="${calculation.logFile}">Gaussian Log File</a></li></#if>
+<#if calculation.NWChemLogFile??><li><a href="${calculation.NWChemLogFile}">NWChem Log File</a></li></#if>
+            <li><a href="${calculation.rdfXmlFile}">RDF XML File</a></li>
         </ul>
 
     </div>