update data analysis & export

NSLS-II-XPD · Mar 7, 2024 · c77b32c · c77b32c
1 parent 966468e
commit c77b32c
Show file tree

Hide file tree

Showing 6 changed files with 54 additions and 40 deletions.
diff --git a/scripts/_data_analysis.py b/scripts/_data_analysis.py
@@ -100,7 +100,7 @@ def t_unit_converter(t0 = 'min', t1 = 'min'):
     return t_frame.loc[t0, t1]
 
 
-def rate_uncit_converter(r0 = 'ul/min', r1 = 'ul/min'):
+def rate_unit_converter(r0 = 'ul/min', r1 = 'ul/min'):
 
     v0 = r0.split('/')[0]
     t0 = r0.split('/')[1]

diff --git a/scripts/_data_export.py b/scripts/_data_export.py
@@ -4,7 +4,7 @@
 import numpy as np
 import pandas as pd
 import os
-import _data_analysis as da
+from _data_analysis import *
 
 
 
@@ -36,13 +36,16 @@ def _auto_name_sample(infuse_rates, prefix=None):
         prefix_list = [f'Pre{i:02d}' for i in range(infuse_rates.shape[1])]
     else:
         prefix_list = prefix
+
+    # prefix_array = np.asarray(prefix_list)
 
     sample = []
     for i in range(infuse_rates.shape[0]):
         name = ''
-        for j in range(infuse_rates.shape[1]):
+        # for j in range(infuse_rates.shape[1]):
+        for j in range(len(prefix_list)):
             int_rate = int(round(float(infuse_rates[i][j]), 0))
-            name += f'{prefix_list[j]}_{int_rate:04d}_'
+            name += f'{prefix_list[j]}_{int_rate:03d}_'
         sample.append(name[:-1])
 
     return sample
@@ -60,7 +63,7 @@ def _auto_name_sample2(pump_list, prefix=None):
 
     get_rate = [pump.read_infuse_rate.get() for pump in pump_list]
     get_unit = [pump.read_infuse_rate_unit.get() for pump in pump_list]
-    ruc_list = [da.rate_unit_converter(r0 = unit, r1 = 'ul/min') for unit in get_unit]
+    ruc_list = [rate_unit_converter(r0 = unit, r1 = 'ul/min') for unit in get_unit]
     get_status = [pump.status.get() for pump in pump_list]
 
     is_infusing = []
@@ -83,9 +86,10 @@ def _auto_name_sample2(pump_list, prefix=None):
     sample = []
     for i in range(infuse_rates.shape[0]):
         name = ''
-        for j in range(infuse_rates.shape[1]):
+        # for j in range(infuse_rates.shape[1]):
+        for j in range(len(prefix_list)):
             int_rate = int(round(float(infuse_rates[i][j]), 0))
-            name += f'{prefix_list[j]}_{int_rate:04d}_'
+            name += f'{prefix_list[j]}_{int_rate:03d}_'
         sample.append(name[:-1])
 
     return sample

diff --git a/scripts/_synthesis_queue.py b/scripts/_synthesis_queue.py
@@ -27,7 +27,7 @@ def synthesis_queue(
                     ):
 
 	if name_by_prefix:
-		sample = _auto_name_sample(rate_list, prefix=prefix)
+		sample = de._auto_name_sample(rate_list, prefix=prefix)
 
 	rate_list = np.asarray(rate_list, dtype=np.float32)
 	if len(rate_list.shape) == 1:
@@ -306,26 +306,26 @@ def synthesis_queue(
 
 ## Auto generate sample name with given prefix and infuse_rate
 ## If prefix = None, 'Pre00', 'Pre01', 'Pre02', ... will be used.
-def _auto_name_sample(infuse_rates, prefix=None):
-    infuse_rates = np.asarray(infuse_rates)
-
-    if len(infuse_rates.shape) == 1:
-        infuse_rates = infuse_rates.reshape(1, infuse_rates.shape[0])
-
-    if prefix == None:
-        prefix_list = [f'Pre{i:02d}' for i in range(infuse_rates.shape[1])]
-    else:
-        prefix_list = prefix
-
-    sample = []
-    for i in range(infuse_rates.shape[0]):
-        name = ''
-        for j in range(infuse_rates.shape[1]):
-            int_rate = int(round(float(infuse_rates[i][j]), 0))
-            name += f'{prefix_list[j]}_{int_rate:03d}_'
-        sample.append(name[:-1])
+# def _auto_name_sample(infuse_rates, prefix=None):
+#     infuse_rates = np.asarray(infuse_rates)
+
+#     if len(infuse_rates.shape) == 1:
+#         infuse_rates = infuse_rates.reshape(1, infuse_rates.shape[0])
+
+#     if prefix == None:
+#         prefix_list = [f'Pre{i:02d}' for i in range(infuse_rates.shape[1])]
+#     else:
+#         prefix_list = prefix
+
+#     sample = []
+#     for i in range(infuse_rates.shape[0]):
+#         name = ''
+#         for j in range(infuse_rates.shape[1]):
+#             int_rate = int(round(float(infuse_rates[i][j]), 0))
+#             name += f'{prefix_list[j]}_{int_rate:03d}_'
+#         sample.append(name[:-1])
 
-    return sample
+#     return sample
 
 
 

diff --git a/scripts/kafka_consumer_iterate_qserver.py b/scripts/kafka_consumer_iterate_qserver.py
@@ -98,8 +98,8 @@
 
 # agent_data_path = '/home/xf28id2/data_ZnCl2'
 # agent_data_path = '/home/xf28id2/data_ZnI2_60mM'
-# agent_data_path = '/home/xf28id2/data_halide'
-agent_data_path = '/home/xf28id2/data_dilute_halide'
+agent_data_path = '/home/xf28id2/data_halide'
+# agent_data_path = '/home/xf28id2/data_dilute_halide'
 
 # dofs = [
 #     DOF(description="CsPb(oleate)3", name="infusion_rate_CsPb", units="uL/min", search_bounds=(5, 110)),
@@ -115,12 +115,12 @@
 # ]
 
 use_good_bad = True
-USE_AGENT_iterate = False
-peak_target = 590
+USE_AGENT_iterate = True
+peak_target = 580
 
 write_agent_data = True
-rate_label = ['infusion_rate_CsPb', 'infusion_rate_Br', 'infusion_rate_Cl', 'infusion_rate_I2']
-# rate_label = ['infusion_rate_CsPb', 'infusion_rate_Br', 'infusion_rate_I2', 'infusion_rate_Cl']
+# rate_label = ['infusion_rate_CsPb', 'infusion_rate_Br', 'infusion_rate_Cl', 'infusion_rate_I2']
+rate_label = ['infusion_rate_CsPb', 'infusion_rate_Br', 'infusion_rate_I2', 'infusion_rate_Cl']
 
 if USE_AGENT_iterate:
 
@@ -426,9 +426,11 @@ def print_message(consumer, doctype, doc,
                                 # new_points = agent.ask("qem", n=1)
                                 # agent.save_data(filepath="/home/xf28id2/data_halide/init_240122_01.h5")
 
-                                peak_diff = peak_emission - peak_target
+                                # peak_diff = peak_emission - peak_target
+                                peak_diff = False
 
-                                if (peak_diff <= 3) and (peak_diff >=-3):
+                                # if (peak_diff <= 3) and (peak_diff >=-3):
+                                if peak_diff:
                                     print(f'\nTarget peak: {peak_target} nm vs. Current peak: {peak_emission} nm\n')
                                     print(f'\nReach the target, stop iteration, stop all pumps, and wash the loop.\n')
 
@@ -613,7 +615,7 @@ def print_message(consumer, doctype, doc,
                 print(f'*** New points from agent: {new_points} ***\n')
 
                 set_target_list = [0 for i in range(new_points['points'].shape[1])]
-                sample = sq._auto_name_sample(new_points['points'], prefix=prefix)
+                sample = de._auto_name_sample(new_points['points'], prefix=prefix[1:])
 
                 sq.synthesis_queue(
                     syringe_list=syringe_list, 

diff --git a/scripts/kafka_consumer_publisher.py b/scripts/kafka_consumer_publisher.py
@@ -71,7 +71,7 @@
 # agent_data_path = '/home/xf28id2/data_halide'
 agent_data_path = '/home/xf28id2/data_halide'
 
-write_agent_data = False
+write_agent_data = True
 # rate_label = ['infusion_rate_CsPb', 'infusion_rate_Br', 'infusion_rate_Cl', 'infusion_rate_I2']
 rate_label = ['infusion_rate_CsPb', 'infusion_rate_Br', 'infusion_rate_I2', 'infusion_rate_Cl']
 

diff --git a/scripts/prepare_agent.py b/scripts/prepare_agent.py
@@ -29,12 +29,20 @@ def build_agen(peak_target=660, peak_tolerance=5):
         Cl_up_limit = 0
 
 
+    # dofs = [
+    #     DOF(description="CsPb(oleate)3", name="infusion_rate_CsPb", units="uL/min", search_bounds=(8, 110)),
+    #     DOF(description="TOABr", name="infusion_rate_Br", units="uL/min", search_bounds=(50, 200)),
+    #     DOF(description="ZnCl2", name="infusion_rate_Cl", units="uL/min", search_bounds=(0, Cl_up_limit)),
+    #     DOF(description="ZnI2", name="infusion_rate_I2", units="uL/min", search_bounds=(0, I_up_limit)),
+    # ]
+
+
     dofs = [
-        DOF(description="CsPb(oleate)3", name="infusion_rate_CsPb", units="uL/min", search_bounds=(2, 110)),
+        DOF(description="CsPb(oleate)3", name="infusion_rate_CsPb", units="uL/min", search_bounds=(8, 110)),
         DOF(description="TOABr", name="infusion_rate_Br", units="uL/min", search_bounds=(50, 200)),
+        DOF(description="ZnI2", name="infusion_rate_I2", units="uL/min", search_bounds=(0, I_up_limit)), 
         DOF(description="ZnCl2", name="infusion_rate_Cl", units="uL/min", search_bounds=(0, Cl_up_limit)),
-        DOF(description="ZnI2", name="infusion_rate_I2", units="uL/min", search_bounds=(0, I_up_limit)),
-    ]      
+    ]  
 
 
     objectives = [