deploy: 6e84f83

_modules/arc/main.html

@@ -875,7 +875,7 @@ <h1>Source code for arc.main</h1><div class="highlight"><pre>
             <span class="k">if</span> <span class="n">output</span><span class="p">[</span><span class="s1">&#39;convergence&#39;</span><span class="p">]:</span>
                 <span class="n">status_dict</span><span class="p">[</span><span class="n">label</span><span class="p">]</span> <span class="o">=</span> <span class="kc">True</span>
                 <span class="n">logger</span><span class="o">.</span><span class="n">info</span><span class="p">(</span><span class="sa">f</span><span class="s1">&#39;Species </span><span class="si">{</span><span class="n">label</span><span class="si">}</span><span class="s1"> converged successfully</span><span class="se">\n</span><span class="s1">&#39;</span><span class="p">)</span>
-            <span class="k">else</span><span class="p">:</span>
+            <span class="k">elif</span> <span class="ow">not</span> <span class="n">label</span><span class="o">.</span><span class="n">startswith</span><span class="p">(</span><span class="s1">&#39;IRC_&#39;</span><span class="p">):</span>
                 <span class="n">status_dict</span><span class="p">[</span><span class="n">label</span><span class="p">]</span> <span class="o">=</span> <span class="kc">False</span>
                 <span class="n">job_type_status</span> <span class="o">=</span> <span class="p">{</span><span class="n">key</span><span class="p">:</span> <span class="n">val</span> <span class="k">for</span> <span class="n">key</span><span class="p">,</span> <span class="n">val</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">output</span><span class="p">[</span><span class="n">label</span><span class="p">][</span><span class="s1">&#39;job_types&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">items</span><span class="p">()</span>
                                    <span class="k">if</span> <span class="n">key</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">job_types</span> <span class="ow">and</span> <span class="bp">self</span><span class="o">.</span><span class="n">job_types</span><span class="p">[</span><span class="n">key</span><span class="p">]}</span>

_modules/arc/scheduler.html

@@ -3073,7 +3073,7 @@ <h1>Source code for arc.scheduler</h1><div class="highlight"><pre>
             <span class="n">logger</span><span class="o">.</span><span class="n">info</span><span class="p">(</span><span class="sa">f</span><span class="s1">&#39;</span><span class="se">\n</span><span class="s1">All jobs for species </span><span class="si">{</span><span class="n">label</span><span class="si">}</span><span class="s1"> successfully converged. &#39;</span>
                         <span class="sa">f</span><span class="s1">&#39;Run time: </span><span class="si">{</span><span class="bp">self</span><span class="o">.</span><span class="n">species_dict</span><span class="p">[</span><span class="n">label</span><span class="p">]</span><span class="o">.</span><span class="n">run_time</span><span class="si">}</span><span class="s1">&#39;</span><span class="p">)</span>
             <span class="c1"># Todo: any TS which did not converged (any rxn not calculated) should be reported here with full status: Was the family identified? Were TS guesses found? IF so, what&#39;s wrong?</span>
-        <span class="k">elif</span> <span class="ow">not</span> <span class="bp">self</span><span class="o">.</span><span class="n">species_dict</span><span class="p">[</span><span class="n">label</span><span class="p">]</span><span class="o">.</span><span class="n">is_ts</span> <span class="ow">or</span> <span class="bp">self</span><span class="o">.</span><span class="n">species_dict</span><span class="p">[</span><span class="n">label</span><span class="p">]</span><span class="o">.</span><span class="n">ts_guesses_exhausted</span><span class="p">:</span>
+        <span class="k">elif</span> <span class="p">(</span><span class="ow">not</span> <span class="bp">self</span><span class="o">.</span><span class="n">species_dict</span><span class="p">[</span><span class="n">label</span><span class="p">]</span><span class="o">.</span><span class="n">is_ts</span> <span class="ow">or</span> <span class="bp">self</span><span class="o">.</span><span class="n">species_dict</span><span class="p">[</span><span class="n">label</span><span class="p">]</span><span class="o">.</span><span class="n">ts_guesses_exhausted</span><span class="p">)</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">label</span><span class="o">.</span><span class="n">startswith</span><span class="p">(</span><span class="s1">&#39;IRC_&#39;</span><span class="p">):</span>
             <span class="n">job_type_status</span> <span class="o">=</span> <span class="p">{</span><span class="n">key</span><span class="p">:</span> <span class="n">val</span> <span class="k">for</span> <span class="n">key</span><span class="p">,</span> <span class="n">val</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">output</span><span class="p">[</span><span class="n">label</span><span class="p">][</span><span class="s1">&#39;job_types&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">items</span><span class="p">()</span>
                                <span class="k">if</span> <span class="n">key</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">job_types</span> <span class="ow">and</span> <span class="bp">self</span><span class="o">.</span><span class="n">job_types</span><span class="p">[</span><span class="n">key</span><span class="p">]</span>
                                <span class="ow">and</span> <span class="p">(</span><span class="n">key</span> <span class="o">!=</span> <span class="s1">&#39;irc&#39;</span> <span class="ow">or</span> <span class="bp">self</span><span class="o">.</span><span class="n">species_dict</span><span class="p">[</span><span class="n">label</span><span class="p">]</span><span class="o">.</span><span class="n">is_ts</span><span class="p">)}</span>