changed xml_path in iterative_fitter.py and added iterative_fitter_monitor.py

.idea/workspace.xml

@@ -3,7 +3,7 @@
   <component name="ChangeListManager">
     <list default="true" id="f4439dc0-6756-4612-8f7d-596d8949f300" name="Default Changelist" comment="">
       <change beforePath="$PROJECT_DIR$/.idea/workspace.xml" beforeDir="false" afterPath="$PROJECT_DIR$/.idea/workspace.xml" afterDir="false" />
-      <change beforePath="$PROJECT_DIR$/llepe/optimizers.py" beforeDir="false" afterPath="$PROJECT_DIR$/llepe/optimizers.py" afterDir="false" />
+      <change beforePath="$PROJECT_DIR$/docs/examples/iterative_fitter.py" beforeDir="false" afterPath="$PROJECT_DIR$/docs/examples/iterative_fitter.py" afterDir="false" />
     </list>
     <option name="SHOW_DIALOG" value="false" />
     <option name="HIGHLIGHT_CONFLICTS" value="true" />
@@ -269,7 +269,14 @@
       <option name="project" value="LOCAL" />
       <updated>1594767749286</updated>
     </task>
-    <option name="localTasksCounter" value="15" />
+    <task id="LOCAL-00015" summary="commented out skopt in optimizers">
+      <created>1594768608466</created>
+      <option name="number" value="00015" />
+      <option name="presentableId" value="LOCAL-00015" />
+      <option name="project" value="LOCAL" />
+      <updated>1594768608466</updated>
+    </task>
+    <option name="localTasksCounter" value="16" />
     <servers />
   </component>
   <component name="Vcs.Log.Tabs.Properties">
@@ -294,7 +301,8 @@
     <MESSAGE value="updated to LLEPE" />
     <MESSAGE value="fixed setup file by changing LLEPE to llepe" />
     <MESSAGE value="added example file to do iterative optimization" />
-    <option name="LAST_COMMIT_MESSAGE" value="added example file to do iterative optimization" />
+    <MESSAGE value="commented out skopt in optimizers" />
+    <option name="LAST_COMMIT_MESSAGE" value="commented out skopt in optimizers" />
   </component>
   <component name="WindowStateProjectService">
     <state x="-1330" y="212" key="#Inspections" timestamp="1590787654691">
@@ -314,11 +322,11 @@
       <screen x="-1920" y="2" width="1920" height="1040" />
     </state>
     <state x="-1213" y="379" key="ANALYSIS_DLG_com.intellij.analysis.BaseAnalysisAction$1/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1590787657711" />
-    <state x="169" y="115" key="CommitChangelistDialog2" timestamp="1594767747695">
+    <state x="169" y="115" key="CommitChangelistDialog2" timestamp="1594768607246">
       <screen x="0" y="0" width="1920" height="1040" />
     </state>
     <state x="-1364" y="117" key="CommitChangelistDialog2/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1592321237444" />
-    <state x="169" y="115" key="CommitChangelistDialog2/0.0.1920.1040@0.0.1920.1040" timestamp="1594767747695" />
+    <state x="169" y="115" key="CommitChangelistDialog2/0.0.1920.1040@0.0.1920.1040" timestamp="1594768607246" />
     <state x="-1828" y="94" width="1736" height="856" key="DiffContextDialog" timestamp="1591048879404">
       <screen x="-1920" y="2" width="1920" height="1040" />
     </state>
@@ -368,11 +376,11 @@
       <screen x="-1920" y="2" width="1920" height="1040" />
     </state>
     <state x="-1245" y="438" width="437" height="168" key="VCS.ChangelistChooser/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1592321346068" />
-    <state x="552" y="254" key="Vcs.Push.Dialog.v2" timestamp="1594767758886">
+    <state x="552" y="254" key="Vcs.Push.Dialog.v2" timestamp="1594768611039">
       <screen x="0" y="0" width="1920" height="1040" />
     </state>
     <state x="-1368" y="256" key="Vcs.Push.Dialog.v2/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1592321242949" />
-    <state x="552" y="254" key="Vcs.Push.Dialog.v2/0.0.1920.1040@0.0.1920.1040" timestamp="1594767758886" />
+    <state x="552" y="254" key="Vcs.Push.Dialog.v2/0.0.1920.1040@0.0.1920.1040" timestamp="1594768611039" />
     <state x="263" y="182" width="1283" height="717" key="com.intellij.ide.util.TipDialog" timestamp="1594694030135">
       <screen x="0" y="0" width="1920" height="1040" />
     </state>

docs/Examples/iterative_fitter.py

@@ -15,7 +15,7 @@ meas_pitzer_param_df = pd.read_csv("../../data/csvs/may_pitzer_params.csv")
 labeled_data = pd.read_csv("../../data/csvs/"
                            "zeroes_removed_PC88A_HCL_NdPrCeLaDySmY.csv")
 exp_data = labeled_data.drop(labeled_data.columns[0], axis=1)
-xml_file = "PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml"
+xml_file = "../../data/xmls/PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml"
 eps = 1e-4
 mini_eps = 1e-8
 x_guesses = [[-5178500.0, -1459500.0],

docs/Examples/iterative_fitter_monitor.py

@@ -0,0 +1,18 @@
+import matplotlib.pyplot as plt
+import pandas as pd
+
+go = 'y'
+parameters = 'slope,intercept,beta0,beta1,Cphi'.split(',')
+while go == 'y':
+    go = input('continue? ')
+    plt.close('all')
+    df = pd.read_csv('outputs/iterative_fitter_output_df.csv')
+    info_cols = {parameter: [] for parameter in parameters}
+    for col in df.columns:
+        for parameter in parameters:
+            if parameter in col:
+                info_cols[parameter].append(col)
+    for parameter in parameters:
+        fig, ax = plt.subplots()
+        ax.title
+