diff --git a/Utilities/Python/scripts/cantera_ignition_delay.py b/Utilities/Python/scripts/cantera_ignition_delay.py index 81a0e35de79..19e9bbf7246 100644 --- a/Utilities/Python/scripts/cantera_ignition_delay.py +++ b/Utilities/Python/scripts/cantera_ignition_delay.py @@ -20,9 +20,9 @@ equivRatios = np.array([0.6, 1.0, 1.4]) T = np.array([900, 1000, 1100, 1200]) - csvdata = pd.DataFrame() caseCount = 0 +writeInterval = 20 for phi in equivRatios: estimated_ignition_delay_times = np.ones_like(T, dtype=float) @@ -38,6 +38,7 @@ for i, state in enumerate(ignition_delays): caseCount = caseCount +1 stateArr = [] + stateArrReduced = [] # Setup the gas and reactor gas.TPX = state.TPX r = ct.IdealGasReactor(contents=gas, name="Batch Reactor") @@ -54,17 +55,29 @@ time_history.append(t) reference_species_history.append(gas[reference_species].X[0]) stateArr.append([t, gas[reference_species].Y[0],gas.T-273.15 ]) - i_ign = np.array(reference_species_history).argmax() tau = time_history[i_ign] t1 = time.time() - stateArrDF = pd.DataFrame(stateArr) + + # Reduce number of timesteps to reduce file size + # Before ignition delay+0.1 s write after every writeInterval variable + # After that write all the times. + tCount = 0 + for j in range(len(stateArr)): + t= stateArr[j][0] + if (t < tau + 0.1): + if (tCount%writeInterval ==0): + stateArrReduced.append(stateArr[j]) + else: + stateArrReduced.append(stateArr[j]) + tCount = tCount+1 + stateArrDF = pd.DataFrame(stateArrReduced) caseIndx = str(caseCount) if caseCount ==1: csvdata = stateArrDF else: - # Pad the smaller DataFrame with NaNs to match the number of rows + #Pad the smaller DataFrame with NaNs to match the number of rows if csvdata.shape[0] > stateArrDF.shape[0]: pad_rows = csvdata.shape[0] - stateArrDF.shape[0] stateArrDF = pd.concat([stateArrDF, pd.DataFrame(np.full((pad_rows, stateArrDF.shape[1]), np.nan))], axis=0, ignore_index=True) @@ -78,11 +91,20 @@ ignition_delays[i].tau = tau -# Set Dataframe column headers +# Set Dataframe column headers and writing format +timeFormat = '{:10.5f}' +OHFormat = '{:.3E}' +TMPFormat = '{:10.2f}' colPerCase = 3 # Time, OH, TMP for i in range(caseCount): caseIndx = str(i+1) csvdata = csvdata.rename(columns={i*colPerCase: 'Time'+caseIndx, i*colPerCase+1: 'OH'+caseIndx, i*colPerCase+2: 'TMP'+caseIndx}) + csvdata['Time'+caseIndx] = csvdata['Time'+caseIndx].map(lambda x: timeFormat.format(x)) + csvdata['OH'+caseIndx] = csvdata['OH'+caseIndx].map(lambda x: OHFormat.format(x)) + csvdata['TMP'+caseIndx] = csvdata['TMP'+caseIndx].map(lambda x: TMPFormat.format(x)) +csvdata = csvdata.apply(lambda x: x.str.strip() if x.dtype == 'object' else x) +csvdata.replace('nan','',inplace=True) +csvdata.replace('NAN','',inplace=True) csvdata.to_csv(Chemistry_DIR+"cantera_ignition_delay.csv",index=False) diff --git a/Verification/Chemistry/cantera_ignition_delay.csv b/Verification/Chemistry/cantera_ignition_delay.csv new file mode 100644 index 00000000000..936968f6c0a --- /dev/null +++ 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