Initial add of PPMS-analysis module

nafuma/ppms/__init__.py

@@ -0,0 +1 @@
+from . import io, plot

nafuma/ppms/io.py

@@ -0,0 +1,120 @@
+import pandas as pd
+import numpy as np
+
+import nafuma.auxillary as aux
+
+def read_data(path, options={}):
+
+    index = find_start(path)
+
+    df = pd.read_csv(path, skiprows=index+1)
+    mask = df.loc[df['Comment'].notna()]
+
+    df = df[['Comment', 'Time Stamp (sec)', 'Temperature (K)', 'Magnetic Field (Oe)', 
+    'DC Moment (emu)', 'DC Std. Err. (emu)', 'DC Quad. Moment (emu)', 
+    'AC=1 DC=2 Locate=3', 'Max. Field (Oe)', 'Pressure (Torr)', 'Temp. Status (code)',
+    ]]
+
+    new_columns = ['Comment', 'Time', 'Temperature', 'Magnetic_Field', 
+    'DC_Moment', 'DC_Std_Err', 'DC_Quad_Moment', 
+    'Status', 'Max_Field', 'Pressure', 'Temperature_Status']
+
+    df.columns = new_columns
+
+    df[['Temperature', 'Magnetic_Field', 'DC_Moment', 'DC_Std_Err', 'DC_Quad_Moment', 'Max_Field', 'Pressure']] = df[['Temperature', 'Magnetic_Field', 'DC_Moment', 'DC_Std_Err', 'DC_Quad_Moment', 'Max_Field', 'Pressure']].astype(float)
+
+    df = df.loc[df['DC_Std_Err'] < 0.001]
+
+    if all([option in options.keys() for option in ['molar_mass', 'sample_mass']]):
+        df = calculate_emu_per_mol_oe(df, options)
+        df = calculate_bohr_magnetons(df, options)
+        df = calculate_chi_inverse(df, options)
+
+
+    dfs = []
+    for i in range(1,len(mask.index)):
+        dfs.append(df.iloc[mask.index[i-1]:mask.index[i]])
+
+    return dfs
+
+
+def read_hysteresis(path):
+
+    index = find_start(path)
+
+    df = pd.read_csv(path, skiprows=index+1)
+
+    df = df[['Comment', 'Time Stamp (sec)', 'Temperature (K)', 'Magnetic Field (Oe)', 
+    'DC Moment (emu)', 'DC Std. Err. (emu)', 'DC Quad. Moment (emu)', 
+    'AC=1 DC=2 Locate=3', 'Max. Field (Oe)', 'Pressure (Torr)', 'Temp. Status (code)',
+    ]]
+
+    new_columns = ['Comment', 'Time', 'Temperature', 'Magnetic_Field', 
+    'DC_Moment', 'DC_Std_Err', 'DC_Quad_Moment', 
+    'Status', 'Max_Field', 'Pressure', 'Temperature_Status']
+
+    df.columns = new_columns
+
+    df[['Temperature', 'Magnetic_Field', 'DC_Moment', 'DC_Std_Err', 'DC_Quad_Moment', 'Max_Field', 'Pressure']] = df[['Temperature', 'Magnetic_Field', 'DC_Moment', 'DC_Std_Err', 'DC_Quad_Moment', 'Max_Field', 'Pressure']].astype(float)
+
+    df = df.loc[df['DC_Std_Err'] < 0.001]
+
+    return df
+
+
+def find_start(path):
+
+    with open(path, 'r') as f:
+
+        i = 0
+        line = f.readline()
+
+        while '[Data]' not in line:
+            line = f.readline()
+            i += 1
+
+
+            if i > 1000:
+                break
+
+
+    return i
+
+
+
+def calculate_emu_per_mol_oe(df, options={}):
+
+    m = options['sample_mass'] / 1000 # convert from mg to g
+    n = m / options['molar_mass']
+
+
+    df['DC_Moment_emu_per_mol'] = df['DC_Moment'] / n
+    df['DC_Moment_emu_per_mol_oe'] = df['DC_Moment'] / (n * df['Magnetic_Field'])
+
+
+    return df
+
+
+
+
+def calculate_bohr_magnetons(df, options={}):
+
+
+    default_options = {
+        'units': 'cgs',
+    }
+
+    options = aux.update_options(options=options, default_options=default_options)
+
+    if options['units'] == 'cgs':
+        df['bohr_magnetons'] = df['DC_Moment_emu_per_mol'] * 1.07828E20 / 6.023E23    ## mu_B per emu divided by Avogadro's number
+
+    return df
+    
+
+
+def calculate_chi_inverse(df, options={}):
+
+    df['chi_inverse'] = 1/ df['DC_Moment_emu_per_mol']
+
+    return df