Merge pull request #168 from molssi-seamm/dev

Bugfix: Error when clicking "Cancel" on some dialogs
molssi-seamm · May 26, 2024 · 3905edd · 3905edd
2 parents 72b97f8 + 2ce9e6b
commit 3905edd
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diff --git a/HISTORY.rst b/HISTORY.rst
@@ -1,6 +1,10 @@
 =======
 History
 =======
+2024.5.26 -- Bugfix: Error when clicking "Cancel" on some dialogs
+    * Dialogs that have a Results tab -- mainly the computational engines -- raised an
+      error if the "Cancel" button was clicked. "OK" worked. This fixes the problem.
+
 2024.5.3.1 -- Bugfix: JSON in Results GUI not set correctly.
 
 2024.5.3 -- Added the time to Results.json

diff --git a/seamm/templates/surface.graph_template b/seamm/templates/surface.graph_template
@@ -0,0 +1,100 @@
+{
+    "data": [
+	{%- for trace in traces %}    
+        {
+	    "contours": {
+		"z": {
+		    "show": true,
+		    "usecolormap": true,
+		    "highlightcolor" : "#42f462",
+		    "project": {
+			"z": true
+		    }
+		}
+	    },
+            "hoverlabel": {
+                "namelength": 0
+            },
+	    {%- if 'hovertemplate' in trace %}
+	    "hovertemplate": "{{ trace.hovertemplate }}",
+	    {%- else %}
+            "hovertemplate": "{{ trace.xlabel }}=%{x} {{ trace.xunits }}<br>{{ trace.ylabel }}=%{y} {{ trace.yunits }}",
+	    {%- endif %}
+            "legendgroup": "",
+            "mode": "lines",
+	    {%- if 'showlegend' in trace %}
+	    "showlegend": {{ trace.showlegend }},
+	    {%- endif %}
+            "line": {
+                "color": "{{ trace.color|default('#4dbd74') }}",
+                "dash": "{{ trace.dash|default('solid') }}",
+                "width": "{{ trace.width|default('1') }}"
+            },
+	    {%- if 'fill' in trace %}
+	    "fill": "{{ trace.fill }}",
+	    {%- endif %}
+	    {%- if 'fillcolor' in trace %}
+	    "fillcolor": "{{ trace.color|default('lightgray') }}",
+	    {%- endif %}
+            "name": "{{ trace.name }}",
+            "type": "surface",
+	    {%- if 'visible' in trace %}
+	    "visible": "{{ trace.visible }}",
+	    {%- endif %}
+	    {%- if 'x' in trace %}
+	    "x": {{ trace.x|jsonify }},
+	    {%- else %}
+	    "x0": {{ trace.x0 }},
+	    "dx": {{ trace.dx }},
+	    {%- endif %}
+            "xaxis": "{{ trace.xaxis }}",
+	    {%- if 'y' in trace %}
+	    "y": {{ trace.y|jsonify }},
+	    {%- else %}
+	    "y0": {{ trace.y0 }},
+	    "dy": {{ trace.dy }},
+	    {%- endif %}
+            "yaxis": "{{ trace.yaxis }}",
+	    "z": {{ trace.z|jsonify }},
+            "zaxis": "{{ trace.zaxis }}"
+	    {%- if loop.last %}
+        }
+	{%- else %}
+        },
+    {%- endif %}
+    {%- endfor %}
+    ],
+    "layout": {
+    	"hovermode": "x",
+        "legend": {
+            "title": "",
+            "tracegroupgap": 0
+        },
+        "title": {
+            "x": 0.5,
+            "text": "{{ title }}",
+            "xanchor": "center"
+        },
+	"scene": {
+	    {%- for axis in axes %}    
+	    "{{ axis.name[:-1] }}": {
+		"domain": [
+		    {{ axis.start }},
+		    {{ axis.stop }}
+		],
+		{%- if 'range' in axis %}
+		"range": {{ axis.range|jsonify }},
+		{%- endif %}
+		"title": {
+		    "text": "{{ axis.label }}"
+		}
+	    {%- if loop.last %}
+	    }
+	    {%- else %}
+	    },
+	    {%- endif %}
+	    {%- endfor %}
+        }
+    }
+}
+
diff --git a/seamm/templates/surface.html_template b/seamm/templates/surface.html_template
@@ -0,0 +1,118 @@
+<html>
+  <head><meta charset="utf-8" /></head>
+  <body>
+    <div>
+      <script type="text/javascript">window.PlotlyConfig = {MathJaxConfig: 'local'};</script>
+      <script src="https://cdn.plot.ly/plotly-latest.min.js"></script>    
+      <div id="b4d1ccf6-a731-4cfc-95dd-479f770eaa06" class="plotly-graph-div" style="height:100%; width:100%;"></div>
+      <script type="text/javascript">
+
+	window.PLOTLYENV=window.PLOTLYENV || {};
+
+	if (document.getElementById("b4d1ccf6-a731-4cfc-95dd-479f770eaa06")) {
+            Plotly.newPlot(
+		'b4d1ccf6-a731-4cfc-95dd-479f770eaa06',
+		[
+		    {%- for trace in traces %}    
+		    {
+			"contours": {
+			    "z": {
+				"show": true,
+				"usecolormap": true,
+				"highlightcolor" : "#42f462",
+				"project": {
+				    "z": true
+				}
+			    }
+			},
+			"hoverlabel": {
+			    "namelength": 0
+			},
+			{%- if 'hovertemplate' in trace %}
+			"hovertemplate": "{{ trace.hovertemplate }}",
+			{%- else %}
+			"hovertemplate": "{{ trace.xlabel }}=%{x} {{ trace.xunits }}<br>{{ trace.ylabel }}=%{y} {{ trace.yunits }}",
+			{%- endif %}
+			"legendgroup": "",
+			"mode": "lines",
+			{%- if 'showlegend' in trace %}
+			"showlegend": {{ trace.showlegend }},
+			{%- endif %}
+			"line": {
+			    "color": "{{ trace.color|default('#4dbd74') }}",
+			    "dash": "{{ trace.dash|default('solid') }}",
+			    "width": "{{ trace.width|default('1') }}"
+			},
+			{%- if 'fill' in trace %}
+			"fill": "{{ trace.fill }}",
+			{%- endif %}
+			{%- if 'fillcolor' in trace %}
+			"fillcolor": "{{ trace.color|default('lightgray') }}",
+			{%- endif %}
+			"name": "{{ trace.name }}",
+			"type": "surface",
+			{%- if 'visible' in trace %}
+			"visible": "{{ trace.visible }}",
+			{%- endif %}
+			{%- if 'x' in trace %}
+			"x": {{ trace.x|jsonify }},
+			{%- else %}
+			"x0": {{ trace.x0 }},
+			"dx": {{ trace.dx }},
+			{%- endif %}
+			"xaxis": "{{ trace.xaxis }}",
+			{%- if 'y' in trace %}
+			"y": {{ trace.y|jsonify }},
+			{%- else %}
+			"y0": {{ trace.y0 }},
+			"dy": {{ trace.dy }},
+			{%- endif %}
+			"yaxis": "{{ trace.yaxis }}",
+			"z": {{ trace.z|jsonify }},
+			"zaxis": "{{ trace.zaxis }}"
+			{%- if loop.last %}
+		    }
+		    {%- else %}
+		    },
+		{%- endif %}
+		{%- endfor %}
+		],
+		{
+		    "hovermode": "x",
+		    "legend": {
+			"title": "",
+			"tracegroupgap": 0
+		    },
+		    "title": {
+			"x": 0.5,
+			"text": "{{ title }}",
+			"xanchor": "center"
+		    },
+		    "scene": {
+			{%- for axis in axes %}    
+			"{{ axis.name[:-1] }}": {
+			    "domain": [
+				{{ axis.start }},
+				{{ axis.stop }}
+			    ],
+			    {%- if 'range' in axis %}
+			    "range": {{ axis.range|jsonify }},
+			    {%- endif %}
+			    "title": {
+				"text": "{{ axis.label }}"
+			    }
+			{%- if loop.last %}
+			}
+			{%- else %}
+			},
+			{%- endif %}
+			{%- endfor %}
+		    }
+                }
+            )
+            };
+        </script>
+    </div>
+</body>
+</html>
+
diff --git a/seamm/tk_node.py b/seamm/tk_node.py
@@ -766,9 +766,9 @@ def handle_dialog(self, result):
 
                         if w_json is not None:
                             if "json" in tmp:
-                                self.tk_var["json " + key]["value"].set(1)
+                                self.tk_var["json " + key].set(1)
                             else:
-                                self.tk_var["json " + key]["value"].set(0)
+                                self.tk_var["json " + key].set(0)
 
                         if w_units is not None:
                             if "units" in tmp: