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Author: jan-janssen

README.html

@@ -383,7 +383,7 @@ <h2>Examples<a class="headerlink" href="#examples" title="Link to this heading">
 <section id="simple-example">
 <h3>Simple Example<a class="headerlink" href="#simple-example" title="Link to this heading">#</a></h3>
 <p>As a first example we define two Python functions which add multiple inputs:</p>
-<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="k">def</span><span class="w"> </span><span class="nf">add_x_and_y</span><span class="p">(</span><span class="n">x</span><span class="p">,</span> <span class="n">y</span><span class="p">):</span>
+<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="k">def</span><span class="w"> </span><span class="nf">get_sum</span><span class="p">(</span><span class="n">x</span><span class="p">,</span> <span class="n">y</span><span class="p">):</span>
     <span class="k">return</span> <span class="n">x</span> <span class="o">+</span> <span class="n">y</span>
 
 <span class="k">def</span><span class="w"> </span><span class="nf">get_prod_and_div</span><span class="p">(</span><span class="n">x</span><span class="p">:</span> <span class="nb">float</span><span class="p">,</span> <span class="n">y</span><span class="p">:</span> <span class="nb">float</span><span class="p">)</span> <span class="o">-&gt;</span> <span class="nb">dict</span><span class="p">:</span>
@@ -392,7 +392,7 @@ <h3>Simple Example<a class="headerlink" href="#simple-example" title="Link to th
 </div>
 <p>These two Python functions are combined in the following example workflow:</p>
 <div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="n">tmp_dict</span> <span class="o">=</span> <span class="n">get_prod_and_div</span><span class="p">(</span><span class="n">x</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">y</span><span class="o">=</span><span class="mi">2</span><span class="p">)</span>
-<span class="n">result</span> <span class="o">=</span> <span class="n">add_x_and_y</span><span class="p">(</span><span class="n">x</span><span class="o">=</span><span class="n">tmp_dict</span><span class="p">[</span><span class="s2">&quot;prod&quot;</span><span class="p">],</span> <span class="n">y</span><span class="o">=</span><span class="n">tmp_dict</span><span class="p">[</span><span class="s2">&quot;div&quot;</span><span class="p">])</span>
+<span class="n">result</span> <span class="o">=</span> <span class="n">get_sum</span><span class="p">(</span><span class="n">x</span><span class="o">=</span><span class="n">tmp_dict</span><span class="p">[</span><span class="s2">&quot;prod&quot;</span><span class="p">],</span> <span class="n">y</span><span class="o">=</span><span class="n">tmp_dict</span><span class="p">[</span><span class="s2">&quot;div&quot;</span><span class="p">])</span>
 </pre></div>
 </div>
 <p>For the workflow representation of these Python functions the Python functions are stored in the <a class="reference download internal" download="" href="_downloads/2733b71b8b860a0550ebcfb326aabf3a/simple_workflow.py"><span class="xref download myst">simple_workflow.py</span></a>
@@ -401,7 +401,7 @@ <h3>Simple Example<a class="headerlink" href="#simple-example" title="Link to th
 <div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="p">{</span>
   <span class="s2">&quot;nodes&quot;</span><span class="p">:</span> <span class="p">[</span>
     <span class="p">{</span><span class="s2">&quot;id&quot;</span><span class="p">:</span> <span class="mi">0</span><span class="p">,</span> <span class="s2">&quot;function&quot;</span><span class="p">:</span> <span class="s2">&quot;simple_workflow.get_prod_and_div&quot;</span><span class="p">},</span>
-    <span class="p">{</span><span class="s2">&quot;id&quot;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span> <span class="s2">&quot;function&quot;</span><span class="p">:</span> <span class="s2">&quot;simple_workflow.add_x_and_y&quot;</span><span class="p">},</span>
+    <span class="p">{</span><span class="s2">&quot;id&quot;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span> <span class="s2">&quot;function&quot;</span><span class="p">:</span> <span class="s2">&quot;simple_workflow.get_sum&quot;</span><span class="p">},</span>
     <span class="p">{</span><span class="s2">&quot;id&quot;</span><span class="p">:</span> <span class="mi">2</span><span class="p">,</span> <span class="s2">&quot;value&quot;</span><span class="p">:</span> <span class="mi">1</span><span class="p">},</span>
     <span class="p">{</span><span class="s2">&quot;id&quot;</span><span class="p">:</span> <span class="mi">3</span><span class="p">,</span> <span class="s2">&quot;value&quot;</span><span class="p">:</span> <span class="mi">2</span><span class="p">}</span>
   <span class="p">],</span>

_downloads/2733b71b8b860a0550ebcfb326aabf3a/simple_workflow.py

@@ -2,6 +2,5 @@ def get_prod_and_div(x, y):
     return {"prod": x * y, "div": x / y}
 
 
-def add_x_and_y(x, y):
-    w = x + y
-    return w
+def get_sum(x, y):
+    return x + y

_downloads/ccde96f4155d5d9b945f1f0b662ed925/workflow_simple.json

@@ -1,7 +1,7 @@
 {
   "nodes": [
     {"id": 0, "function": "simple_workflow.get_prod_and_div"},
-    {"id": 1, "function": "simple_workflow.add_x_and_y"},
+    {"id": 1, "function": "simple_workflow.get_sum"},
     {"id": 2, "value": 1},
     {"id": 3, "value": 2}
   ],

_sources/README.md

@@ -16,7 +16,7 @@ different workflow engines to enable interoperability.
 ### Simple Example 
 As a first example we define two Python functions which add multiple inputs: 
 ```python
-def add_x_and_y(x, y):
+def get_sum(x, y):
     return x + y
 
 def get_prod_and_div(x: float, y: float) -> dict:
@@ -25,7 +25,7 @@ def get_prod_and_div(x: float, y: float) -> dict:
 These two Python functions are combined in the following example workflow:
 ```python
 tmp_dict = get_prod_and_div(x=1, y=2)
-result = add_x_and_y(x=tmp_dict["prod"], y=tmp_dict["div"])
+result = get_sum(x=tmp_dict["prod"], y=tmp_dict["div"])
 ```
 For the workflow representation of these Python functions the Python functions are stored in the [simple_workflow.py](simple_workflow.py)
 Python module. The connection of the Python functions are stored in the [workflow_simple.json](workflow_simple.json) 
@@ -34,7 +34,7 @@ JSON file:
 {
   "nodes": [
     {"id": 0, "function": "simple_workflow.get_prod_and_div"},
-    {"id": 1, "function": "simple_workflow.add_x_and_y"},
+    {"id": 1, "function": "simple_workflow.get_sum"},
     {"id": 2, "value": 1},
     {"id": 3, "value": 2}
   ],

_sources/aiida_simple.ipynb

@@ -42,7 +42,12 @@
   },
   {
    "cell_type": "code",
-   "source": "from simple_workflow import (\n    add_x_and_y as _add_x_and_y,\n    get_prod_and_div as _get_prod_and_div,\n)",
+   "source": [
+    "from simple_workflow import (\n",
+    "    get_sum as _get_sum,\n",
+    "    get_prod_and_div as _get_prod_and_div,\n",
+    ")"
+   ],
    "metadata": {
     "trusted": true
    },
@@ -69,7 +74,14 @@
   },
   {
    "cell_type": "code",
-   "source": "add_x_and_y_task = wg.add_task(\n    _add_x_and_y,\n    name=\"add_x_and_y\",\n    x=get_prod_and_div_task.outputs.prod,\n    y=get_prod_and_div_task.outputs.div,\n)",
+   "source": [
+    "get_sum_task = wg.add_task(\n",
+    "    _get_sum,\n",
+    "    name=\"get_sum\",\n",
+    "    x=get_prod_and_div_task.outputs.prod,\n",
+    "    y=get_prod_and_div_task.outputs.div,\n",
+    ")"
+   ],
    "metadata": {
     "trusted": true
    },

_sources/book/simple.md

@@ -1,7 +1,7 @@
 # Simple Workflow
 As a first example we define two Python functions which add multiple inputs: 
 ```python
-def add_x_and_y(x, y):
+def get_sum(x, y):
     return x + y
 
 def get_prod_and_div(x: float, y: float) -> dict:
@@ -10,7 +10,7 @@ def get_prod_and_div(x: float, y: float) -> dict:
 These two Python functions are combined in the following example workflow:
 ```python
 tmp_dict = get_prod_and_div(x=1, y=2)
-result = add_x_and_y(x=tmp_dict["prod"], y=tmp_dict["div"])
+result = get_sum(x=tmp_dict["prod"], y=tmp_dict["div"])
 ```
 For the workflow representation of these Python functions the Python functions are stored in the [simple_workflow.py](simple_workflow.py)
 Python module. The connection of the Python functions are stored in the [workflow_simple.json](workflow_simple.json) 
@@ -19,7 +19,7 @@ JSON file:
 {
   "nodes": [
     {"id": 0, "function": "simple_workflow.get_prod_and_div"},
-    {"id": 1, "function": "simple_workflow.add_x_and_y"},
+    {"id": 1, "function": "simple_workflow.get_sum"},
     {"id": 2, "value": 1},
     {"id": 3, "value": 2}
   ],

_sources/jobflow_simple.ipynb

@@ -62,7 +62,12 @@
   {
    "id": "fb847d49-7bf9-4839-9b99-c116d1b0e9ee",
    "cell_type": "code",
-   "source": "from simple_workflow import (\n    add_x_and_y as _add_x_and_y, \n    get_prod_and_div as _get_prod_and_div,\n)",
+   "source": [
+    "from simple_workflow import (\n",
+    "    get_sum as _get_sum,\n",
+    "    get_prod_and_div as _get_prod_and_div,\n",
+    ")"
+   ],
    "metadata": {
     "trusted": true
    },
@@ -82,7 +87,10 @@
   {
    "id": "07598344-0f75-433b-8902-bea21a42088c",
    "cell_type": "code",
-   "source": "add_x_and_y = job(_add_x_and_y)\nget_prod_and_div = job(_get_prod_and_div, data=[\"prod\", \"div\"])",
+   "source": [
+    "get_sum = job(_get_sum)\n",
+    "get_prod_and_div = job(_get_prod_and_div, data=[\"prod\", \"div\"])"
+   ],
    "metadata": {
     "trusted": true
    },
@@ -102,7 +110,7 @@
   {
    "id": "2b88a30a-e26b-4802-89b7-79ca08cc0af9",
    "cell_type": "code",
-   "source": "w = add_x_and_y(x=obj.output.prod, y=obj.output.div)",
+   "source": "w = get_sum(x=obj.output.prod, y=obj.output.div)",
    "metadata": {
     "trusted": true
    },

_sources/pyiron_base_simple.ipynb

@@ -56,7 +56,12 @@
   {
    "id": "fb847d49-7bf9-4839-9b99-c116d1b0e9ee",
    "cell_type": "code",
-   "source": "from simple_workflow import (\n    add_x_and_y as _add_x_and_y, \n    get_prod_and_div as _get_prod_and_div,\n)",
+   "source": [
+    "from simple_workflow import (\n",
+    "    get_sum as _get_sum,\n",
+    "    get_prod_and_div as _get_prod_and_div,\n",
+    ")"
+   ],
    "metadata": {
     "trusted": true
    },
@@ -76,7 +81,10 @@
   {
    "id": "07598344-0f75-433b-8902-bea21a42088c",
    "cell_type": "code",
-   "source": "add_x_and_y = job(_add_x_and_y)\nget_prod_and_div = job(_get_prod_and_div, output_key_lst=[\"prod\", \"div\"])",
+   "source": [
+    "get_sum = job(_get_sum)\n",
+    "get_prod_and_div = job(_get_prod_and_div, output_key_lst=[\"prod\", \"div\"])"
+   ],
    "metadata": {
     "trusted": true
    },
@@ -96,7 +104,7 @@
   {
    "id": "a5e5ca63-2906-47c9-bac6-adebf8643cba",
    "cell_type": "code",
-   "source": "w = add_x_and_y(x=obj.output.prod, y=obj.output.div)",
+   "source": "w = get_sum(x=obj.output.prod, y=obj.output.div)",
    "metadata": {
     "trusted": true
    },

_sources/simple.md

@@ -1,7 +1,7 @@
 # Simple Workflow
 As a first example we define two Python functions which add multiple inputs: 
 ```python
-def add_x_and_y(x, y):
+def get_sum(x, y):
     return x + y
 
 def get_prod_and_div(x: float, y: float) -> dict:
@@ -10,7 +10,7 @@ def get_prod_and_div(x: float, y: float) -> dict:
 These two Python functions are combined in the following example workflow:
 ```python
 tmp_dict = get_prod_and_div(x=1, y=2)
-result = add_x_and_y(x=tmp_dict["prod"], y=tmp_dict["div"])
+result = get_sum(x=tmp_dict["prod"], y=tmp_dict["div"])
 ```
 For the workflow representation of these Python functions the Python functions are stored in the [simple_workflow.py](simple_workflow.py)
 Python module. The connection of the Python functions are stored in the [workflow_simple.json](workflow_simple.json) 
@@ -19,7 +19,7 @@ JSON file:
 {
   "nodes": [
     {"id": 0, "function": "simple_workflow.get_prod_and_div"},
-    {"id": 1, "function": "simple_workflow.add_x_and_y"},
+    {"id": 1, "function": "simple_workflow.get_sum"},
     {"id": 2, "value": 1},
     {"id": 3, "value": 2}
   ],

aiida_simple.html

@@ -407,7 +407,7 @@ <h2>Define workflow with aiida<a class="headerlink" href="#define-workflow-with-
 <div class="cell docutils container">
 <div class="cell_input docutils container">
 <div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span><span class="w"> </span><span class="nn">simple_workflow</span><span class="w"> </span><span class="kn">import</span> <span class="p">(</span>
-    <span class="n">add_x_and_y</span> <span class="k">as</span> <span class="n">_add_x_and_y</span><span class="p">,</span>
+    <span class="n">get_sum</span> <span class="k">as</span> <span class="n">_get_sum</span><span class="p">,</span>
     <span class="n">get_prod_and_div</span> <span class="k">as</span> <span class="n">_get_prod_and_div</span><span class="p">,</span>
 <span class="p">)</span>
 </pre></div>
@@ -435,9 +435,9 @@ <h2>Define workflow with aiida<a class="headerlink" href="#define-workflow-with-
 </div>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">add_x_and_y_task</span> <span class="o">=</span> <span class="n">wg</span><span class="o">.</span><span class="n">add_task</span><span class="p">(</span>
-    <span class="n">_add_x_and_y</span><span class="p">,</span>
-    <span class="n">name</span><span class="o">=</span><span class="s2">&quot;add_x_and_y&quot;</span><span class="p">,</span>
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">get_sum_task</span> <span class="o">=</span> <span class="n">wg</span><span class="o">.</span><span class="n">add_task</span><span class="p">(</span>
+    <span class="n">_get_sum</span><span class="p">,</span>
+    <span class="n">name</span><span class="o">=</span><span class="s2">&quot;get_sum&quot;</span><span class="p">,</span>
     <span class="n">x</span><span class="o">=</span><span class="n">get_prod_and_div_task</span><span class="o">.</span><span class="n">outputs</span><span class="o">.</span><span class="n">prod</span><span class="p">,</span>
     <span class="n">y</span><span class="o">=</span><span class="n">get_prod_and_div_task</span><span class="o">.</span><span class="n">outputs</span><span class="o">.</span><span class="n">div</span><span class="p">,</span>
 <span class="p">)</span>