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310 <span·class="gh">Out[16]:·</span><span·class="go">5</span>310 <span·class="gh">Out[16]:·</span><span·class="go">5</span>
  
311 <span·class="gp">In·[17]:·</span><span·class="n">frame</span><span·class="o">.</span><span·class="n">particles</span><span·class="o">.</span><span·class="n">N</span>311 <span·class="gp">In·[17]:·</span><span·class="n">frame</span><span·class="o">.</span><span·class="n">particles</span><span·class="o">.</span><span·class="n">N</span>
312 <span·class="gh">Out[17]:·</span><span·class="go">9</span>312 <span·class="gh">Out[17]:·</span><span·class="go">9</span>
  
313 <span·class="gp">In·[18]:·</span><span·class="n">frame</span><span·class="o">.</span><span·class="n">particles</span><span·class="o">.</span><span·class="n">position</span>313 <span·class="gp">In·[18]:·</span><span·class="n">frame</span><span·class="o">.</span><span·class="n">particles</span><span·class="o">.</span><span·class="n">position</span>
314 <span·class="gh">Out[18]:·</span>314 <span·class="gh">Out[18]:·</span>
315 <span·class="go">array([[0.40039307,·0.99434954,·0.10246408],</span> 
316 <span·class="go">·······[0.06876076,·0.87994385,·0.8579417·],</span> 
317 <span·class="go">·······[0.38329616,·0.5371457·,·0.9643367·],</span> 
318 <span·class="go">·······[0.6468892·,·0.730762··,·0.671027··],</span> 
319 <span·class="go">·······[0.35040882,·0.4094625·,·0.84355944],</span> 
320 <span·class="go">·······[0.46662906,·0.941722··,·0.76584077],</span> 
321 <span·class="go">·······[0.94926435,·0.49257588,·0.5611686·],</span> 
322 <span·class="go">·······[0.3486009·,·0.84582174,·0.22406223],</span> 
323 <span·class="go">·······[0.946478··,·0.48283222,·0.87761766]],·dtype=float32)</span>315 <span·class="go">array([[6.65686727e-01,·6.98582709e-01,·8.52547526e-01],</span>
 316 <span·class="go">·······[3.37835640e-01,·8.69938254e-01,·4.82903779e-01],</span>
 317 <span·class="go">·······[6.52554512e-01,·9.48889077e-01,·1.17393650e-01],</span>
 318 <span·class="go">·······[1.97739413e-04,·6.25990212e-01,·7.27304280e-01],</span>
 319 <span·class="go">·······[1.53515264e-01,·2.71801114e-01,·1.70649678e-01],</span>
 320 <span·class="go">·······[1.86216608e-01,·7.67121315e-01,·1.20234296e-01],</span>
 321 <span·class="go">·······[4.68542367e-01,·8.75569344e-01,·1.09036034e-02],</span>
 322 <span·class="go">·······[4.38084632e-01,·3.75774980e-01,·6.68026865e-01],</span>
 323 <span·class="go">·······[4.76435721e-01,·6.19751573e-01,·8.24197590e-01]],·dtype=float32)</span>
324 </pre></div>324 </pre></div>
325 </div>325 </div>
326 <p><a·class="reference·internal"·href="python-module-gsd.hoomd.html#gsd.hoomd.HOOMDTrajectory"·title="gsd.hoomd.HOOMDTrajectory"><code·class="xref·any·py·py-class·docutils·literal·notranslate"><span·class="pre">gsd.hoomd.HOOMDTrajectory</span></code></a>·supports·random·indexing·of·frames·in·the·file.326 <p><a·class="reference·internal"·href="python-module-gsd.hoomd.html#gsd.hoomd.HOOMDTrajectory"·title="gsd.hoomd.HOOMDTrajectory"><code·class="xref·any·py·py-class·docutils·literal·notranslate"><span·class="pre">gsd.hoomd.HOOMDTrajectory</span></code></a>·supports·random·indexing·of·frames·in·the·file.
327 Indexing·into·a·trajectory·returns·a·<a·class="reference·internal"·href="python-module-gsd.hoomd.html#gsd.hoomd.Frame"·title="gsd.hoomd.Frame"><code·class="xref·any·py·py-class·docutils·literal·notranslate"><span·class="pre">gsd.hoomd.Frame</span></code></a>.</p>327 Indexing·into·a·trajectory·returns·a·<a·class="reference·internal"·href="python-module-gsd.hoomd.html#gsd.hoomd.Frame"·title="gsd.hoomd.Frame"><code·class="xref·any·py·py-class·docutils·literal·notranslate"><span·class="pre">gsd.hoomd.Frame</span></code></a>.</p>
328 </section>328 </section>
329 <section·id="slicing-and-selection">329 <section·id="slicing-and-selection">
330 <h2>Slicing·and·selection<a·class="headerlink"·href="#slicing-and-selection"·title="Link·to·this·heading">#</a></h2>330 <h2>Slicing·and·selection<a·class="headerlink"·href="#slicing-and-selection"·title="Link·to·this·heading">#</a></h2>
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353 <h2>Pure·python·reader<a·class="headerlink"·href="#pure-python-reader"·title="Link·to·this·heading">#</a></h2>353 <h2>Pure·python·reader<a·class="headerlink"·href="#pure-python-reader"·title="Link·to·this·heading">#</a></h2>
354 <div·class="highlight-ipython·notranslate"><div·class="highlight"><pre><span></span><span·class="gp">In·[23]:·</span><span·class="n">f</span>·<span·class="o">=</span>·<span·class="n">gsd</span><span·class="o">.</span><span·class="n">pygsd</span><span·class="o">.</span><span·class="n">GSDFile</span><span·class="p">(</span><span·class="nb">open</span><span·class="p">(</span><span·class="s1">&#39;example.gsd&#39;</span><span·class="p">,</span>·<span·class="s1">&#39;rb&#39;</span><span·class="p">))</span>354 <div·class="highlight-ipython·notranslate"><div·class="highlight"><pre><span></span><span·class="gp">In·[23]:·</span><span·class="n">f</span>·<span·class="o">=</span>·<span·class="n">gsd</span><span·class="o">.</span><span·class="n">pygsd</span><span·class="o">.</span><span·class="n">GSDFile</span><span·class="p">(</span><span·class="nb">open</span><span·class="p">(</span><span·class="s1">&#39;example.gsd&#39;</span><span·class="p">,</span>·<span·class="s1">&#39;rb&#39;</span><span·class="p">))</span>
  
355 <span·class="gp">In·[24]:·</span><span·class="n">trajectory</span>·<span·class="o">=</span>·<span·class="n">gsd</span><span·class="o">.</span><span·class="n">hoomd</span><span·class="o">.</span><span·class="n">HOOMDTrajectory</span><span·class="p">(</span><span·class="n">f</span><span·class="p">);</span>355 <span·class="gp">In·[24]:·</span><span·class="n">trajectory</span>·<span·class="o">=</span>·<span·class="n">gsd</span><span·class="o">.</span><span·class="n">hoomd</span><span·class="o">.</span><span·class="n">HOOMDTrajectory</span><span·class="p">(</span><span·class="n">f</span><span·class="p">);</span>
  
356 <span·class="gp">In·[25]:·</span><span·class="n">trajectory</span><span·class="p">[</span><span·class="mi">3</span><span·class="p">]</span><span·class="o">.</span><span·class="n">particles</span><span·class="o">.</span><span·class="n">position</span>356 <span·class="gp">In·[25]:·</span><span·class="n">trajectory</span><span·class="p">[</span><span·class="mi">3</span><span·class="p">]</span><span·class="o">.</span><span·class="n">particles</span><span·class="o">.</span><span·class="n">position</span>
357 <span·class="gh">Out[25]:·</span>357 <span·class="gh">Out[25]:·</span>
358 <span·class="go">array([[0.73853356,·0.2753343·,·0.2149242·],</span>358 <span·class="go">array([[0.910303··,·0.7384886·,·0.8179899·],</span>
359 <span·class="go">·······[0.62652504,·0.71915096,·0.54798913],</span>359 <span·class="go">·······[0.74037···,·0.14415053,·0.9039177·],</span>
360 <span·class="go">·······[0.65886444,·0.30511704,·0.612627··],</span>360 <span·class="go">·······[0.94426143,·0.24477029,·0.6357065·],</span>
361 <span·class="go">·······[0.21213518,·0.1196993·,·0.3353937·],</span>361 <span·class="go">·······[0.03951965,·0.8470701·,·0.47118354],</span>
362 <span·class="go">·······[0.8663125·,·0.9212821·,·0.20224068],</span> 
363 <span·class="go">·······[0.39211458,·0.18077596,·0.90534204],</span>362 <span·class="go">·······[0.32188544,·0.6139978·,·0.05531228],</span>
 363 <span·class="go">·······[0.751679··,·0.9560624·,·0.27425295],</span>
364 <span·class="go">·······[0.9931193·,·0.668007··,·0.78784114]],·dtype=float32)</span>364 <span·class="go">·······[0.25444984,·0.3156979·,·0.05031436]],·dtype=float32)</span>
365 </pre></div>365 </pre></div>
366 </div>366 </div>
367 <p>You·can·use·<strong>GSD</strong>·without·needing·to·compile·C·code·to·read·<strong>GSD</strong>·files367 <p>You·can·use·<strong>GSD</strong>·without·needing·to·compile·C·code·to·read·<strong>GSD</strong>·files
368 using·<a·class="reference·internal"·href="python-module-gsd.pygsd.html#gsd.pygsd.GSDFile"·title="gsd.pygsd.GSDFile"><code·class="xref·any·py·py-class·docutils·literal·notranslate"><span·class="pre">gsd.pygsd.GSDFile</span></code></a>·in·combination·with·<a·class="reference·internal"·href="python-module-gsd.hoomd.html#gsd.hoomd.HOOMDTrajectory"·title="gsd.hoomd.HOOMDTrajectory"><code·class="xref·any·py·py-class·docutils·literal·notranslate"><span·class="pre">gsd.hoomd.HOOMDTrajectory</span></code></a>.·It368 using·<a·class="reference·internal"·href="python-module-gsd.pygsd.html#gsd.pygsd.GSDFile"·title="gsd.pygsd.GSDFile"><code·class="xref·any·py·py-class·docutils·literal·notranslate"><span·class="pre">gsd.pygsd.GSDFile</span></code></a>·in·combination·with·<a·class="reference·internal"·href="python-module-gsd.hoomd.html#gsd.hoomd.HOOMDTrajectory"·title="gsd.hoomd.HOOMDTrajectory"><code·class="xref·any·py·py-class·docutils·literal·notranslate"><span·class="pre">gsd.hoomd.HOOMDTrajectory</span></code></a>.·It
369 only·supports·the·<code·class="docutils·literal·notranslate"><span·class="pre">rb</span></code>·mode·and·does·not·read·files·as·fast·as·the·C369 only·supports·the·<code·class="docutils·literal·notranslate"><span·class="pre">rb</span></code>·mode·and·does·not·read·files·as·fast·as·the·C
370 implementation.·It·takes·in·a·python·file-like·object,·so·it·can·be·used·with370 implementation.·It·takes·in·a·python·file-like·object,·so·it·can·be·used·with
371 in-memory·IO·classes,·and·grid·file·classes·that·access·data·over·the·internet.</p>371 in-memory·IO·classes,·and·grid·file·classes·that·access·data·over·the·internet.</p>
2.7 KB
html2text {}
    
Offset 118, 23 lines modifiedOffset 118, 23 lines modified
118 Out[16]:·5118 Out[16]:·5
  
119 In·[17]:·frame.particles.N119 In·[17]:·frame.particles.N
120 Out[17]:·9120 Out[17]:·9
  
121 In·[18]:·frame.particles.position121 In·[18]:·frame.particles.position
122 Out[18]:122 Out[18]:
123 array([[0.40039307,·0.99434954,·0.10246408], 
124 ·······[0.06876076,·0.87994385,·0.8579417·], 
125 ·······[0.38329616,·0.5371457·,·0.9643367·], 
126 ·······[0.6468892·,·0.730762··,·0.671027··], 
127 ·······[0.35040882,·0.4094625·,·0.84355944], 
128 ·······[0.46662906,·0.941722··,·0.76584077], 
129 ·······[0.94926435,·0.49257588,·0.5611686·], 
130 ·······[0.3486009·,·0.84582174,·0.22406223], 
131 ·······[0.946478··,·0.48283222,·0.87761766]],·dtype=float32)123 array([[6.65686727e-01,·6.98582709e-01,·8.52547526e-01],
 124 ·······[3.37835640e-01,·8.69938254e-01,·4.82903779e-01],
 125 ·······[6.52554512e-01,·9.48889077e-01,·1.17393650e-01],
 126 ·······[1.97739413e-04,·6.25990212e-01,·7.27304280e-01],
 127 ·······[1.53515264e-01,·2.71801114e-01,·1.70649678e-01],
 128 ·······[1.86216608e-01,·7.67121315e-01,·1.20234296e-01],
 129 ·······[4.68542367e-01,·8.75569344e-01,·1.09036034e-02],
 130 ·······[4.38084632e-01,·3.75774980e-01,·6.68026865e-01],
 131 ·······[4.76435721e-01,·6.19751573e-01,·8.24197590e-01]],·dtype=float32)
132 gsd.hoomd.HOOMDTrajectory·supports·random·indexing·of·frames·in·the·file.132 gsd.hoomd.HOOMDTrajectory·supports·random·indexing·of·frames·in·the·file.
133 Indexing·into·a·trajectory·returns·a·gsd.hoomd.Frame.133 Indexing·into·a·trajectory·returns·a·gsd.hoomd.Frame.
  
134 *****·Slicing·and·selection#·*****134 *****·Slicing·and·selection#·*****
135 Use·the·slicing·operator·to·select·individual·frames·or·a·subset·of·a135 Use·the·slicing·operator·to·select·individual·frames·or·a·subset·of·a
136 trajectory.136 trajectory.
137 In·[19]:·f·=·gsd.hoomd.open(name='example.gsd',·mode='r')137 In·[19]:·f·=·gsd.hoomd.open(name='example.gsd',·mode='r')
Offset 155, 21 lines modifiedOffset 155, 21 lines modified
155 *****·Pure·python·reader#·*****155 *****·Pure·python·reader#·*****
156 In·[23]:·f·=·gsd.pygsd.GSDFile(open('example.gsd',·'rb'))156 In·[23]:·f·=·gsd.pygsd.GSDFile(open('example.gsd',·'rb'))
  
157 In·[24]:·trajectory·=·gsd.hoomd.HOOMDTrajectory(f);157 In·[24]:·trajectory·=·gsd.hoomd.HOOMDTrajectory(f);
  
158 In·[25]:·trajectory[3].particles.position158 In·[25]:·trajectory[3].particles.position
159 Out[25]:159 Out[25]:
160 array([[0.73853356,·0.2753343·,·0.2149242·], 
161 ·······[0.62652504,·0.71915096,·0.54798913], 
162 ·······[0.65886444,·0.30511704,·0.612627··], 
163 ·······[0.21213518,·0.1196993·,·0.3353937·], 
164 ·······[0.8663125·,·0.9212821·,·0.20224068], 
165 ·······[0.39211458,·0.18077596,·0.90534204], 
166 ·······[0.9931193·,·0.668007··,·0.78784114]],·dtype=float32)160 array([[0.910303··,·0.7384886·,·0.8179899·],
 161 ·······[0.74037···,·0.14415053,·0.9039177·],
 162 ·······[0.94426143,·0.24477029,·0.6357065·],
 163 ·······[0.03951965,·0.8470701·,·0.47118354],
 164 ·······[0.32188544,·0.6139978·,·0.05531228],
 165 ·······[0.751679··,·0.9560624·,·0.27425295],
 166 ·······[0.25444984,·0.3156979·,·0.05031436]],·dtype=float32)
167 You·can·use·GSD·without·needing·to·compile·C·code·to·read·GSD·files·using167 You·can·use·GSD·without·needing·to·compile·C·code·to·read·GSD·files·using
168 gsd.pygsd.GSDFile·in·combination·with·gsd.hoomd.HOOMDTrajectory.·It·only168 gsd.pygsd.GSDFile·in·combination·with·gsd.hoomd.HOOMDTrajectory.·It·only
169 supports·the·rb·mode·and·does·not·read·files·as·fast·as·the·C·implementation.169 supports·the·rb·mode·and·does·not·read·files·as·fast·as·the·C·implementation.
170 It·takes·in·a·python·file-like·object,·so·it·can·be·used·with·in-memory·IO170 It·takes·in·a·python·file-like·object,·so·it·can·be·used·with·in-memory·IO
171 classes,·and·grid·file·classes·that·access·data·over·the·internet.171 classes,·and·grid·file·classes·that·access·data·over·the·internet.
172 Warning172 Warning
173 gsd.pygsd·is·slow.·Use·gsd.hoomd.open·whenever·possible.173 gsd.pygsd·is·slow.·Use·gsd.hoomd.open·whenever·possible.
2.89 KB
./usr/share/doc/python-gsd-doc/html/searchindex.js
2.79 KB
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