organizing parameters in spreadsheets

scripts/_LDRD_Kafka.py

@@ -108,102 +108,3 @@ def __init__(self, parameters_list, xlsx_fn, sheet_name='inputs'):
             pass
 
 
-
-
-
-
-    # def add_to_queue(self):
-    #     sq.synthesis_queue(
-    #                 syringe_list=self.input_dic.syringe_list, 
-    #                 pump_list=self.input_dic.pump_list, 
-    #                 set_target_list=self.input_dic.set_target_list, 
-    #                 target_vol_list=self.input_dic.target_vol_list, 
-    #                 rate_list = self.input_dic.infuse_rates, 
-    #                 syringe_mater_list=self.input_dic.syringe_mater_list, 
-    #                 precursor_list=self.input_dic.precursor_list,
-    #                 mixer=self.input_dic.mixer, 
-    #                 resident_t_ratio=self.input_dic.resident_t_ratio, 
-    #                 prefix=self.input_dic.prefix[1:], 
-    #                 sample=self.input_dic.sample, 
-    #                 wash_tube=self.input_dic.wash_tube, 
-    #                 name_by_prefix=bool(self.input_dic.prefix[0]),  
-	# 				num_abs=self.input_dic.num_uvvis[0], 
-	# 				num_flu=self.input_dic.num_uvvis[1],
-    #                 det1_time=self.input_dic.num_uvvis[2], 
-    #                 zmq_control_addr=self.input_dic.zmq_control_addr, 
-	# 				zmq_info_addr=self.input_dic.zmq_info_addr, 
-    #                 )
-
-'''
-class kafka():
-    def __init__(self):
-        self.rate_label_dic = {'CsPb':'infusion_rate_CsPb', 
-                                'Br':'infusion_rate_Br', 
-                                'ZnI':'infusion_rate_I2', 
-                                'ZnCl':'infusion_rate_Cl'}
-        self.new_points_label = ['infusion_rate_CsPb', 'infusion_rate_Br', 'infusion_rate_I2', 'infusion_rate_Cl']
-        
-        self.use_good_bad = True
-        self.post_dilute = True
-        
-        self.write_agent_data = True
-        self.agent_data_path = '/home/xf28id2/Documents/ChengHung/202405_halide_data/with_xray'
-
-        self.USE_AGENT_iterate = False
-        self.peak_target = 515
-        self.agent = build_agen(peak_target=self.peak_target, agent_data_path=self.agent_data_path)
-
-        self.iq_to_gr = False
-        self.gr_path = '/home/xf28id2/Documents/ChengHung/pdfstream_test/'
-        self.cfg_fn = '/home/xf28id2/Documents/ChengHung/pdfstream_test/pdfgetx3.cfg'
-        self.iq_fn = glob.glob(os.path.join(gr_path, '**CsPb**.chi'))
-        # self.bkg_fn = glob.glob(os.path.join(gr_path, '**bkg**.chi'))
-        self.bkg_fn = ['/nsls2/data/xpd-new/legacy/processed/xpdUser/tiff_base/Toluene_OleAcid_mask/integration/Toluene_OleAcid_mask_20240602-122852_c49480_primary-1_mean_q.chi']
-
-
-
-
-USE_AGENT_iterate = False
-peak_target = 515
-if USE_AGENT_iterate:
-    import torch
-    from prepare_agent_pdf import build_agen
-    agent = build_agen(peak_target=peak_target, agent_data_path=agent_data_path)
-
-iq_to_gr = True
-if iq_to_gr:
-    from diffpy.pdfgetx import PDFConfig
-    global gr_path, cfg_fn, iq_fn, bkg_fn
-    gr_path = '/home/xf28id2/Documents/ChengHung/pdfstream_test/'
-    cfg_fn = '/home/xf28id2/Documents/ChengHung/pdfstream_test/pdfgetx3.cfg'
-    iq_fn = glob.glob(os.path.join(gr_path, '**CsPb**.chi'))
-    # bkg_fn = glob.glob(os.path.join(gr_path, '**bkg**.chi'))
-    bkg_fn = ['/nsls2/data/xpd-new/legacy/processed/xpdUser/tiff_base/Toluene_OleAcid_mask/integration/Toluene_OleAcid_mask_20240602-122852_c49480_primary-1_mean_q.chi']
-    
-search_and_match = True
-if search_and_match:
-    from updated_pipeline_pdffit2 import Refinery
-    mystery_path = "/home/xf28id2/Documents/ChengHung/pdffit2_example/CsPbBr3"
-    # mystery_path = "'/home/xf28id2/Documents/ChengHung/pdfstream_test/gr"
-    results_path = "/home/xf28id2/Documents/ChengHung/pdffit2_example/results_CsPbBr_chemsys_search"
-
-fitting_pdf = False
-if fitting_pdf:
-    global pdf_cif_dir, cif_list, gr_data
-    pdf_cif_dir = '/home/xf28id2/Documents/ChengHung/pdffit2_example/CsPbBr3/'
-    cif_list = [os.path.join(pdf_cif_dir, 'CsPbBr3_Orthorhombic.cif')]
-    gr_data = os.path.join(pdf_cif_dir, 'CsPbBr3.gr')
-
-global sandbox_tiled_client
-use_sandbox = True
-if use_sandbox:
-    sandbox_tiled_client = from_uri("https://tiled.nsls2.bnl.gov/api/v1/metadata/xpd/sandbox")
-
-write_to_sandbox = False
-if write_to_sandbox:
-    sandbox_tiled_client = from_uri("https://tiled.nsls2.bnl.gov/api/v1/metadata/xpd/sandbox")
-'''
-
-
-
-