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<span class='kw'>def</span> <span class='const'>ClassyFireAPI</span><span class='period'>.</span><span class='id identifier rubyid_get_entity_classification'>get_entity_classification</span><span class='lparen'>(</span><span class='id identifier rubyid_inchikey'>inchikey</span><span class='comma'>,</span><span class='id identifier rubyid_format'>format</span><span class='op'>=</span><span class='tstring'><span class='tstring_beg'>"</span><span class='tstring_content'>json</span><span class='tstring_end'>"</span></span><span class='rparen'>)</span>
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<span class='id identifier rubyid_inchikey_id'>inchikey_id</span> <span class='op'>=</span> <span class='id identifier rubyid_inchikey'>inchikey</span><span class='period'>.</span><span class='id identifier rubyid_to_s'>to_s</span><span class='period'>.</span><span class='id identifier rubyid_gsub'>gsub</span><span class='lparen'>(</span><span class='tstring'><span class='tstring_beg'>'</span><span class='tstring_content'>InChIKey=</span><span class='tstring_end'>'</span></span><span class='comma'>,</span><span class='tstring'><span class='tstring_beg'>'</span><span class='tstring_end'>'</span></span><span class='rparen'>)</span>
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54</pre>
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55</pre>
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 36</span>
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<span class='kw'>def</span> <span class='const'>ClassyFireAPI</span><span class='period'>.</span><span class='id identifier rubyid_get_query'>get_query</span><span class='lparen'>(</span><span class='id identifier rubyid_query_id'>query_id</span><span class='comma'>,</span><span class='id identifier rubyid_format'>format</span><span class='op'>=</span><span class='tstring'><span class='tstring_beg'>"</span><span class='tstring_content'>json</span><span class='tstring_end'>"</span></span><span class='rparen'>)</span>
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101</pre>
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102</pre>
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 87</span>
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<span class='kw'>def</span> <span class='const'>ClassyFireAPI</span><span class='period'>.</span><span class='id identifier rubyid_get_sequence_classification'>get_sequence_classification</span><span class='lparen'>(</span><span class='id identifier rubyid_fingerprint'>fingerprint</span><span class='comma'>,</span><span class='id identifier rubyid_format'>format</span><span class='op'>=</span><span class='tstring'><span class='tstring_beg'>"</span><span class='tstring_content'>json</span><span class='tstring_end'>"</span></span><span class='rparen'>)</span>
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135</pre>
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136</pre>
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 128</span>
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 129</span>
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<span class='kw'>def</span> <span class='const'>ClassyFireAPI</span><span class='period'>.</span><span class='id identifier rubyid_query_status'>query_status</span><span class='lparen'>(</span><span class='id identifier rubyid_query_id'>query_id</span><span class='rparen'>)</span>
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<span class='kw'>begin</span>
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@ -932,8 +932,6 @@ retrieve the strutcure's classification from ClassyFire.</p>
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 309</span>
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<span class='kw'>def</span> <span class='const'>ClassyFireAPI</span><span class='period'>.</span><span class='id identifier rubyid_retrieve_classification'>retrieve_classification</span><span class='lparen'>(</span><span class='id identifier rubyid_input'>input</span><span class='comma'>,</span><span class='id identifier rubyid_output'>output</span><span class='rparen'>)</span>
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<span class='id identifier rubyid_absolute_path'>absolute_path</span> <span class='op'>=</span> <span class='const'>File</span><span class='period'>.</span><span class='id identifier rubyid_expand_path'>expand_path</span><span class='lparen'>(</span><span class='id identifier rubyid_input'>input</span><span class='rparen'>)</span>
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431</pre>
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433</pre>
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 378</span>
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 380</span>
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<span class='kw'>def</span> <span class='const'>ClassyFireAPI</span><span class='period'>.</span><span class='id identifier rubyid_retrieve_entities_json'>retrieve_entities_json</span><span class='lparen'>(</span><span class='id identifier rubyid_input'>input</span><span class='comma'>,</span><span class='id identifier rubyid_output'>output</span><span class='rparen'>)</span>
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<span class='id identifier rubyid_absolute_path'>absolute_path</span> <span class='op'>=</span> <span class='const'>File</span><span class='period'>.</span><span class='id identifier rubyid_expand_path'>expand_path</span><span class='lparen'>(</span><span class='id identifier rubyid_input'>input</span><span class='rparen'>)</span>
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@ -1316,8 +1316,6 @@ format.</p>
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@ -1375,10 +1373,12 @@ format.</p>
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499</pre>
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500
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501</pre>
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<td>
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 440</span>
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 442</span>
|
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|
<span class='kw'>def</span> <span class='const'>ClassyFireAPI</span><span class='period'>.</span><span class='id identifier rubyid_retrieve_entities_sdf'>retrieve_entities_sdf</span><span class='lparen'>(</span><span class='id identifier rubyid_input'>input</span><span class='comma'>,</span><span class='id identifier rubyid_output'>output</span><span class='rparen'>)</span>
|
|
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|
|
<span class='id identifier rubyid_absolute_path'>absolute_path</span> <span class='op'>=</span> <span class='const'>File</span><span class='period'>.</span><span class='id identifier rubyid_expand_path'>expand_path</span><span class='lparen'>(</span><span class='id identifier rubyid_input'>input</span><span class='rparen'>)</span>
|
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|
|
@ -1509,8 +1509,6 @@ slice_length [Integer] The maximum number of entries for each query input
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@ -1518,10 +1516,12 @@ slice_length [Integer] The maximum number of entries for each query input
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236</pre>
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238</pre>
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 227</span>
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 229</span>
|
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|
|
<span class='kw'>def</span> <span class='const'>ClassyFireAPI</span><span class='period'>.</span><span class='id identifier rubyid_submit_queries_from_directory'>submit_queries_from_directory</span><span class='lparen'>(</span><span class='id identifier rubyid_folder'>folder</span><span class='comma'>,</span><span class='id identifier rubyid_slice_length'>slice_length</span><span class='comma'>,</span><span class='id identifier rubyid_type'>type</span><span class='op'>=</span><span class='tstring'><span class='tstring_beg'>"</span><span class='tstring_content'>STRUCTURE</span><span class='tstring_end'>"</span></span><span class='rparen'>)</span>
|
|
|
|
|
<span class='kw'>if</span> <span class='const'>File</span><span class='period'>.</span><span class='id identifier rubyid_directory?'>directory?</span><span class='lparen'>(</span><span class='id identifier rubyid_folder'>folder</span><span class='rparen'>)</span>
|
|
|
|
@ -1550,7 +1550,7 @@ slice_length [Integer] The maximum number of entries for each query input
|
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|
|
</h3><div class="docstring">
|
|
|
|
|
<div class="discussion">
|
|
|
|
|
|
|
|
|
|
<p>Submits a ClassyFire query, which should be returned in a specific format.</p>
|
|
|
|
|
<p>Submits a ClassyFire query in a JSON format.</p>
|
|
|
|
|
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|
|
<p>if there is an error.</p>
|
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|
|
@ -1589,6 +1589,24 @@ slice_length [Integer] The maximum number of entries for each query input
|
|
|
|
|
—
|
|
|
|
|
<div class='inline'>
|
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|
|
<p>the input of the query.</p>
|
|
|
|
|
</div>
|
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|
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<li>
|
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<span class='name'>type</span>
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|
|
<span class='type'>(<tt>String</tt>)</span>
|
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|
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|
|
<em class="default">(defaults to: <tt>'STRUCTURE'</tt>)</em>
|
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|
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|
|
|
|
|
|
|
—
|
|
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|
|
<div class='inline'>
|
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|
|
<p>the type of the query.</p>
|
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|
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|
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|
|
@ -1620,7 +1638,6 @@ slice_length [Integer] The maximum number of entries for each query input
|
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15
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16
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@ -1635,10 +1652,11 @@ slice_length [Integer] The maximum number of entries for each query input
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25
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26
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27
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28</pre>
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28
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29</pre>
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</td>
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|
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|
<td>
|
|
|
|
|
<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 13</span>
|
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|
|
<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 14</span>
|
|
|
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|
|
<span class='kw'>def</span> <span class='const'>ClassyFireAPI</span><span class='period'>.</span><span class='id identifier rubyid_submit_query'>submit_query</span><span class='lparen'>(</span><span class='id identifier rubyid_label'>label</span><span class='comma'>,</span><span class='id identifier rubyid_input'>input</span><span class='comma'>,</span> <span class='id identifier rubyid_type'>type</span><span class='op'>=</span><span class='tstring'><span class='tstring_beg'>'</span><span class='tstring_content'>STRUCTURE</span><span class='tstring_end'>'</span></span><span class='rparen'>)</span>
|
|
|
|
|
<span class='kw'>begin</span>
|
|
|
|
@ -1722,7 +1740,6 @@ framgments from the index 'start'.</p>
|
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153
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@ -1784,10 +1801,12 @@ framgments from the index 'start'.</p>
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210
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211
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212</pre>
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212
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214</pre>
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</td>
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<td>
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|
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 150</span>
|
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 151</span>
|
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<span class='kw'>def</span> <span class='const'>ClassyFireAPI</span><span class='period'>.</span><span class='id identifier rubyid_submit_query_input_in_chunks'>submit_query_input_in_chunks</span><span class='lparen'>(</span><span class='id identifier rubyid_input_file'>input_file</span><span class='comma'>,</span><span class='id identifier rubyid_slice_length'>slice_length</span><span class='comma'>,</span> <span class='id identifier rubyid_start'>start</span><span class='comma'>,</span> <span class='id identifier rubyid_type'>type</span><span class='op'>=</span><span class='tstring'><span class='tstring_beg'>'</span><span class='tstring_content'>STRUCTURE</span><span class='tstring_end'>'</span></span><span class='rparen'>)</span>
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<span class='ivar'>@start_time</span> <span class='op'>=</span> <span class='const'>Time</span><span class='period'>.</span><span class='id identifier rubyid_now'>now</span>
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@ -1802,7 +1821,7 @@ framgments from the index 'start'.</p>
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<span class='kw'>if</span> <span class='id identifier rubyid_sline'>sline</span><span class='period'>.</span><span class='id identifier rubyid_length'>length</span> <span class='op'>==</span> <span class='int'>1</span>
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<span class='id identifier rubyid_input'>input</span> <span class='op'><<</span><span class='tstring'><span class='tstring_beg'>"</span><span class='embexpr_beg'>#{</span><span class='id identifier rubyid_sline'>sline</span><span class='lbracket'>[</span><span class='int'>0</span><span class='rbracket'>]</span><span class='embexpr_end'>}</span><span class='tstring_end'>"</span></span>
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<span class='kw'>elsif</span> <span class='id identifier rubyid_sline'>sline</span><span class='period'>.</span><span class='id identifier rubyid_length'>length</span> <span class='op'>>=</span> <span class='int'>2</span>
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<span class='id identifier rubyid_input'>input</span> <span class='op'><<</span><span class='tstring'><span class='tstring_beg'>"</span><span class='embexpr_beg'>#{</span><span class='id identifier rubyid_sline'>sline</span><span class='lbracket'>[</span><span class='int'>0</span><span class='rbracket'>]</span><span class='embexpr_end'>}</span><span class='tstring_content'>\t</span><span class='embexpr_beg'>#{</span><span class='id identifier rubyid_sline'>sline</span><span class='lbracket'>[</span><span class='int'>2</span><span class='rbracket'>]</span><span class='embexpr_end'>}</span><span class='tstring_end'>"</span></span>
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<span class='id identifier rubyid_input'>input</span> <span class='op'><<</span><span class='tstring'><span class='tstring_beg'>"</span><span class='embexpr_beg'>#{</span><span class='id identifier rubyid_sline'>sline</span><span class='lbracket'>[</span><span class='int'>0</span><span class='rbracket'>]</span><span class='embexpr_end'>}</span><span class='tstring_content'>\t</span><span class='embexpr_beg'>#{</span><span class='id identifier rubyid_sline'>sline</span><span class='lbracket'>[</span><span class='int'>1</span><span class='rbracket'>]</span><span class='embexpr_end'>}</span><span class='tstring_end'>"</span></span>
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<span class='kw'>end</span>
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<span class='kw'>end</span>
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@ -1817,15 +1836,17 @@ framgments from the index 'start'.</p>
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<span class='kw'>while</span> <span class='id identifier rubyid_i'>i</span> <span class='op'><</span> <span class='id identifier rubyid_initial_nr_of_jobs'>initial_nr_of_jobs</span>
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<span class='id identifier rubyid_title'>title</span> <span class='op'>=</span> <span class='const'>File</span><span class='period'>.</span><span class='id identifier rubyid_basename'>basename</span><span class='lparen'>(</span><span class='id identifier rubyid_absolute_path'>absolute_path</span><span class='rparen'>)</span><span class='period'>.</span><span class='id identifier rubyid_split'>split</span><span class='lparen'>(</span><span class='tstring'><span class='tstring_beg'>"</span><span class='tstring_content'>.</span><span class='tstring_end'>"</span></span><span class='rparen'>)</span><span class='lbracket'>[</span><span class='int'>0</span><span class='rbracket'>]</span> <span class='op'>+</span> <span class='tstring'><span class='tstring_beg'>"</span><span class='tstring_content'>_yannick</span><span class='tstring_end'>"</span></span> <span class='op'>+</span> <span class='tstring'><span class='tstring_beg'>"</span><span class='tstring_content'>_part_</span><span class='embexpr_beg'>#{</span><span class='id identifier rubyid_i'>i</span><span class='embexpr_end'>}</span><span class='tstring_end'>"</span></span>
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<span class='kw'>begin</span>
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<span class='id identifier rubyid_puts'>puts</span> <span class='tstring'><span class='tstring_beg'>"</span><span class='tstring_content'>submitting </span><span class='embexpr_beg'>#{</span><span class='id identifier rubyid_title'>title</span><span class='embexpr_end'>}</span><span class='tstring_end'>"</span></span>
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<span class='id identifier rubyid_q'>q</span> <span class='op'>=</span> <span class='id identifier rubyid_submit_query'>submit_query</span><span class='lparen'>(</span><span class='id identifier rubyid_title'>title</span><span class='comma'>,</span><span class='id identifier rubyid_subdivised_groups'>subdivised_groups</span><span class='lbracket'>[</span><span class='id identifier rubyid_i'>i</span><span class='op'>-</span><span class='int'>1</span><span class='rbracket'>]</span><span class='period'>.</span><span class='id identifier rubyid_join'>join</span><span class='lparen'>(</span><span class='tstring'><span class='tstring_beg'>"</span><span class='tstring_content'>\n</span><span class='tstring_end'>"</span></span><span class='rparen'>)</span><span class='comma'>,</span><span class='id identifier rubyid_type'>type</span><span class='rparen'>)</span>
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<span class='id identifier rubyid_query_ids'>query_ids</span> <span class='op'><<</span> <span class='const'>JSON</span><span class='period'>.</span><span class='id identifier rubyid_parse'>parse</span><span class='lparen'>(</span><span class='id identifier rubyid_q'>q</span><span class='rparen'>)</span><span class='lbracket'>[</span><span class='tstring'><span class='tstring_beg'>'</span><span class='tstring_content'>id</span><span class='tstring_end'>'</span></span><span class='rbracket'>]</span>
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<span class='kw'>rescue</span> <span class='const'>Exception</span> <span class='op'>=></span> <span class='id identifier rubyid_e'>e</span>
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<span class='id identifier rubyid_puts'>puts</span> <span class='id identifier rubyid_e'>e</span><span class='period'>.</span><span class='id identifier rubyid_message'>message</span>
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<span class='id identifier rubyid_puts'>puts</span> <span class='id identifier rubyid_e'>e</span><span class='period'>.</span><span class='id identifier rubyid_backtrace'>backtrace</span><span class='period'>.</span><span class='id identifier rubyid_inspect'>inspect</span>
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<span class='kw'>if</span> <span class='id identifier rubyid_i'>i</span> <span class='op'><=</span> <span class='id identifier rubyid_subdivised_groups'>subdivised_groups</span><span class='period'>.</span><span class='id identifier rubyid_length'>length</span>
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<span class='kw'>begin</span>
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<span class='id identifier rubyid_puts'>puts</span> <span class='tstring'><span class='tstring_beg'>"</span><span class='tstring_content'>submitting </span><span class='embexpr_beg'>#{</span><span class='id identifier rubyid_title'>title</span><span class='embexpr_end'>}</span><span class='tstring_end'>"</span></span>
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<span class='id identifier rubyid_q'>q</span> <span class='op'>=</span> <span class='id identifier rubyid_submit_query'>submit_query</span><span class='lparen'>(</span><span class='id identifier rubyid_title'>title</span><span class='comma'>,</span><span class='id identifier rubyid_subdivised_groups'>subdivised_groups</span><span class='lbracket'>[</span><span class='id identifier rubyid_i'>i</span><span class='op'>-</span><span class='int'>1</span><span class='rbracket'>]</span><span class='period'>.</span><span class='id identifier rubyid_join'>join</span><span class='lparen'>(</span><span class='tstring'><span class='tstring_beg'>"</span><span class='tstring_content'>\n</span><span class='tstring_end'>"</span></span><span class='rparen'>)</span><span class='comma'>,</span><span class='id identifier rubyid_type'>type</span><span class='rparen'>)</span>
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<span class='id identifier rubyid_query_ids'>query_ids</span> <span class='op'><<</span> <span class='const'>JSON</span><span class='period'>.</span><span class='id identifier rubyid_parse'>parse</span><span class='lparen'>(</span><span class='id identifier rubyid_q'>q</span><span class='rparen'>)</span><span class='lbracket'>[</span><span class='tstring'><span class='tstring_beg'>'</span><span class='tstring_content'>id</span><span class='tstring_end'>'</span></span><span class='rbracket'>]</span>
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<span class='kw'>rescue</span> <span class='const'>Exception</span> <span class='op'>=></span> <span class='id identifier rubyid_e'>e</span>
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|
<span class='id identifier rubyid_puts'>puts</span> <span class='id identifier rubyid_e'>e</span><span class='period'>.</span><span class='id identifier rubyid_message'>message</span>
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|
<span class='id identifier rubyid_puts'>puts</span> <span class='id identifier rubyid_e'>e</span><span class='period'>.</span><span class='id identifier rubyid_backtrace'>backtrace</span><span class='period'>.</span><span class='id identifier rubyid_inspect'>inspect</span>
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<span class='kw'>end</span>
|
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<span class='id identifier rubyid_i'>i</span> <span class='op'>=</span> <span class='id identifier rubyid_i'>i</span> <span class='op'>+</span> <span class='int'>1</span>
|
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|
<span class='kw'>end</span>
|
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|
|
<span class='id identifier rubyid_i'>i</span> <span class='op'>=</span> <span class='id identifier rubyid_i'>i</span> <span class='op'>+</span> <span class='int'>1</span>
|
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|
|
<span class='kw'>end</span>
|
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|
<span class='id identifier rubyid_puts'>puts</span> <span class='tstring'><span class='tstring_beg'>"</span><span class='tstring_content'>Going to sleep at </span><span class='embexpr_beg'>#{</span><span class='const'>Time</span><span class='period'>.</span><span class='id identifier rubyid_now'>now</span> <span class='op'>-</span> <span class='ivar'>@start_time</span><span class='embexpr_end'>}</span><span class='tstring_content'> for </span><span class='embexpr_beg'>#{</span><span class='id identifier rubyid_sleeping_time'>sleeping_time</span><span class='embexpr_end'>}</span><span class='tstring_content'> s.</span><span class='tstring_end'>"</span></span>
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@ -1844,7 +1865,6 @@ framgments from the index 'start'.</p>
|
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|
<span class='id identifier rubyid_puts'>puts</span> <span class='id identifier rubyid_e'>e</span><span class='period'>.</span><span class='id identifier rubyid_message'>message</span>
|
|
|
|
|
<span class='id identifier rubyid_puts'>puts</span> <span class='id identifier rubyid_e'>e</span><span class='period'>.</span><span class='id identifier rubyid_backtrace'>backtrace</span><span class='period'>.</span><span class='id identifier rubyid_inspect'>inspect</span>
|
|
|
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|
<span class='kw'>end</span>
|
|
|
|
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|
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|
<span class='kw'>end</span>
|
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|
|
<span class='id identifier rubyid_i'>i</span> <span class='op'>=</span> <span class='id identifier rubyid_k'>k</span>
|
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|
<span class='id identifier rubyid_puts'>puts</span> <span class='tstring'><span class='tstring_beg'>"</span><span class='tstring_content'>Going to sleep at </span><span class='embexpr_beg'>#{</span><span class='const'>Time</span><span class='period'>.</span><span class='id identifier rubyid_now'>now</span> <span class='op'>-</span> <span class='ivar'>@start_time</span><span class='embexpr_end'>}</span><span class='tstring_content'> for </span><span class='embexpr_beg'>#{</span><span class='id identifier rubyid_sleeping_time'>sleeping_time</span><span class='embexpr_end'>}</span><span class='tstring_content'> s.</span><span class='tstring_end'>"</span></span>
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|
@ -1950,8 +1970,6 @@ text. is fragmented into n part of #slice_length entries each).</p>
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<pre class="lines">
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252
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253
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254
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255
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256
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@ -2000,10 +2018,12 @@ text. is fragmented into n part of #slice_length entries each).</p>
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299
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300
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301
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302</pre>
|
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302
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303
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304</pre>
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</td>
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<td>
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 252</span>
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<pre class="code"><span class="info file"># File 'lib/classyfire_api.rb', line 254</span>
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<span class='kw'>def</span> <span class='const'>ClassyFireAPI</span><span class='period'>.</span><span class='id identifier rubyid_submit_random_subset_of_query_input_in_chunks'>submit_random_subset_of_query_input_in_chunks</span><span class='lparen'>(</span><span class='id identifier rubyid_tab_separated_input_file'>tab_separated_input_file</span><span class='comma'>,</span><span class='id identifier rubyid_size'>size</span><span class='comma'>,</span> <span class='id identifier rubyid_type'>type</span><span class='op'>=</span><span class='tstring'><span class='tstring_beg'>'</span><span class='tstring_content'>STRUCTURE</span><span class='tstring_end'>'</span></span><span class='rparen'>)</span>
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<span class='ivar'>@start_time</span> <span class='op'>=</span> <span class='const'>Time</span><span class='period'>.</span><span class='id identifier rubyid_now'>now</span>
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@ -2066,7 +2086,7 @@ text. is fragmented into n part of #slice_length entries each).</p>
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</div>
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<div id="footer">
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Generated on Wed Mar 9 19:55:20 2016 by
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Generated on Thu Mar 10 15:54:06 2016 by
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<a href="http://yardoc.org" title="Yay! A Ruby Documentation Tool" target="_parent">yard</a>
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0.8.7.6 (ruby-2.3.0).
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</div>
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