PetThermoTools 0.2.43__py3-none-any.whl → 0.2.45__py3-none-any.whl

PetThermoTools/Barom.py

@@ -223,6 +223,7 @@ def mineral_cosaturation(Model="MELTSv1.0.2", cores=int(np.floor(multiprocessing
         index_out = np.array([], dtype=int)
 
         while len(index_out) < len(index_in):
+            Start = time.time()
             index = np.setdiff1d(index_in, index_out)
             groups = np.array_split(index, cores)
             non_empty_groups = [g for g in groups if g.size > 0]
@@ -242,10 +243,19 @@ def mineral_cosaturation(Model="MELTSv1.0.2", cores=int(np.floor(multiprocessing
 
             for p, q, group in processes:
                 try:
-                    res = q.get(timeout=timeout)
+                    if time.time() - Start > timeout + 10:
+                        res = q.get(timeout = 10)
+                    else:
+                        res = q.get(timeout=timeout)
                 except:
+                    if "MELTS" not in Model:
+                        print(f"Timeout warning reached. Calculation P_bar = {P_bar[group[0]]} will not be returned. Try increasing the timeout.")
                     res = []
                     idx_chunks = np.array([group[0]], dtype = int)
+                    mask = np.ones(len(P_bar), dtype=bool)
+                    mask[idx_chunks] = False
+                    P_bar = P_bar[mask]
+
                 p.join(timeout = 2)
                 p.terminate()
 
@@ -290,7 +300,7 @@ def mineral_cosaturation(Model="MELTSv1.0.2", cores=int(np.floor(multiprocessing
                         phases=phases,
                         melts = melts
                     )
-                results[f"index = {i}"] = Results
+                results[f"Run {i}"] = Results
                 combined_results.update(results)
         else:
             if fO2_offset is None:
@@ -307,7 +317,7 @@ def mineral_cosaturation(Model="MELTSv1.0.2", cores=int(np.floor(multiprocessing
                                         )
                 
                 Results = dict(Results_df)
-                results[f"index = {i}"] = Results
+                results[f"Run {i}"] = Results
                 combined_results.update(results)
 
     results = combined_results

PetThermoTools/MELTS.py

@@ -953,7 +953,6 @@ def path_MELTS(Model = None, comp = None, Frac_solid = None, Frac_fluid = None,
                 else:
                     return Results
 
-        print(Liq_Results)
         T_start_C = Liq_Results['T_Liq'] + 0.1
         if T_end_C is None and T_maxdrop_C is not None:
             T_end_C = T_start_C - T_maxdrop_C
@@ -965,6 +964,9 @@ def path_MELTS(Model = None, comp = None, Frac_solid = None, Frac_fluid = None,
             else:
                 melts.engine.setSystemProperties(["Log fO2 Path: " + fO2_buffer, "Log fO2 Offset: " + str(fO2_offset)])
 
+    T = None
+    P = None
+
     if T_path_C is None:
         if T_end_C is None and dt_C is None:
             T = T_start_C
@@ -973,6 +975,8 @@ def path_MELTS(Model = None, comp = None, Frac_solid = None, Frac_fluid = None,
     elif T_path_C is not None:
         T = T_path_C
 
+    
+
     if P_path_bar is None:
         if P_end_bar is None and dp_bar is None:
             P = P_start_bar
@@ -981,12 +985,21 @@ def path_MELTS(Model = None, comp = None, Frac_solid = None, Frac_fluid = None,
     elif P_path_bar is not None:
         P = P_path_bar
 
+    print(P_path_bar)
+    print(P_end_bar)
+    print(P_start_bar)
+    print(dp_bar)
+
+    if type(P) == np.ndarray and T_end_C is not None and dt_C is None:
+        T = np.linspace(T_start_C, T_end_C, len(P))
+
     if type(T) == np.ndarray and P_end_bar is None and dp_bar is not None:
         P = np.linspace(P_start_bar, P_start_bar - dp_bar*(len(T)-1), len(T))
     if type(T) == np.ndarray and P_end_bar is not None and dp_bar is None:
         P = np.linspace(P_start_bar, P_end_bar, len(T))
     elif type(P) == np.ndarray and T_end_C is None and dt_C is not None:
         T = np.linspace(T_start_C, T_start_C - dt_C*(len(P)-1), len(P))
+   
 
     if type(T) == np.ndarray and type(P) == np.ndarray:
         if len(T) != len(P):

PetThermoTools/Melting.py

@@ -13,7 +13,7 @@ from tqdm.notebook import tqdm, trange
 
 def AdiabaticDecompressionMelting(cores = multiprocessing.cpu_count(), 
                                   Model = "pMELTS", bulk = "KLB-1", comp_lith_1 = None, 
-                                  comp_lith_2 = None, comp_lith_3 = None, Tp_C = 1350, Tp_Method = "pyMelt",
+                                  comp_lith_2 = None, comp_lith_3 = None, Tp_C = 1350, Tp_Method = None,
                                   P_start_bar = 30000, P_end_bar = 2000, dp_bar = 200, 
                                   P_path_bar = None, Frac = False, prop = None, 
                                   fO2_buffer = None, fO2_offset = None, Fe3Fet = None, MELTS_filter = True):
@@ -311,6 +311,17 @@ def AdiabaticMelt(q, index, *, Model = None, comp_1 = None, comp_2 = None, comp_
 
         from juliacall import Main as jl, convert as jlconvert
 
+        # import os, pathlib
+
+        # # 1. Where to install Julia + MAGEMin environment (user home dir, persistent)
+        # home = str(pathlib.Path.home())
+        # env_path = os.path.join(home, ".MAGEMinEnv")
+
+        # jl.seval(f"""
+        # import Pkg
+        # Pkg.activate("{env_path}")
+        # """)
+
         jl.seval("using MAGEMinCalc")
 
         comp_1['O'] = comp_1['Fe3Fet_Liq']*(((159.59/2)/71.844)*comp_1['FeOt_Liq'] - comp_1['FeOt_Liq'])
@@ -323,7 +334,8 @@ def AdiabaticMelt(q, index, *, Model = None, comp_1 = None, comp_2 = None, comp_
 
         Output_jl = jl.MAGEMinCalc.AdiabaticDecompressionMelting(comp = comp_julia, P_start_kbar = P_start_bar/1000.0, 
                                                               P_end_kbar = P_end_bar/1000.0, dp_kbar = dp_bar/1000.0,
-                                                              T_start_C = T_start_C, fo2_buffer = fO2_buffer, fo2_offset = fO2_offset, Model = Model)
+                                                              T_start_C = T_start_C, fo2_buffer = fO2_buffer, 
+                                                              fo2_offset = fO2_offset, Model = Model, Tp_C = Tp_C)
         Results = dict(Output_jl)
         # Results = stich(Results, Model = Model)
         

PetThermoTools/Path.py

@@ -567,9 +567,11 @@ def path_multi(q, index, *, Model = None, comp = None, Frac_solid = None, Frac_f
                 #                                 T_C = T_C[i], T_path_C = T_path_C[i], P_start_bar = P_start_bar[i], P_end_bar = P_end_bar[i],
                 #                                 dp_bar = dp_bar[i], P_bar = P_bar[i], P_path_bar = P_path_bar[i], frac_xtal = Frac_solid,
                 #                                 fo2_buffer = fO2_buffer, fo2_offset = fO2_offset[i], find_liquidus = find_liquidus)
-                
+
+                julia_Suppress = None                
                 if Suppress == ['rutile', 'tridymite']:
                     Suppress = None
+                    julia_Suppress = None
 
                 if Suppress is not None:
                     jl.Suppress = Suppress
@@ -772,8 +774,10 @@ def path(q, index, *, Model = None, comp = None, Frac_solid = None, Frac_fluid =
         else:
             P_path_bar_julia = P_path_bar
 
+        julia_Suppress = None
         if Suppress == ['rutile', 'tridymite']:
             Suppress = None
+            julia_Suppress = None
 
         if Suppress is not None:
             jl.Suppress = Suppress

PetThermoTools/Path_wrappers.py

@@ -185,7 +185,7 @@ def polybaric_crystallisation_path(Model = None, bulk = None, Frac_solid = None,
                                    Fe3Fet_init = None, Fe3Fet_Liq = None, H2O_init = None, H2O_Liq = None, 
                                    CO2_init = None, CO2_Liq = None, find_liquidus = None, fO2_buffer = None, 
                                    fO2_offset = None, label = None, timeout = None, multi_processing=True,
-                                   Suppress = ['rutile', 'tridymite'], Suppress_except=False):
+                                   Suppress = ['rutile', 'tridymite'], Suppress_except=False, multiprocessing = True):
     """
     Simulates polybaric crystallization along a user-specified P-T path using the `multi_path` function.
 
@@ -275,7 +275,8 @@ def polybaric_crystallisation_onestep(Model = None, bulk = None, Frac_solid = No
                                       P_start_bar = None, P_end_bar = None, Fe3Fet_Liq = None, Fe3Fet_init = None,
                                       H2O_Liq = None, H2O_init = None, CO2_Liq = None, CO2_init = None, 
                                       find_liquidus = None, fO2_buffer = None, fO2_offset = None, label = None, 
-                                      timeout = None, multi_processing = True, Suppress = ['rutile', 'tridymite'], Suppress_except=False,):
+                                      timeout = None, multi_processing = True, Suppress = ['rutile', 'tridymite'], 
+                                      Suppress_except=False,multiprocessing=True):
     """
     Simulates polybaric crystallization along a user-specified P-T path using the `multi_path` function.
 

PetThermoTools/_version.py

@@ -5,4 +5,4 @@
 # 1) we don't load dependencies by storing it in __init__.py
 # 2) we can import it in setup.py for the same reason
 # 3) we can import it into your module
-__version__ = '0.2.43'
+__version__ = '0.2.45'

{PetThermoTools-0.2.43.dist-info → PetThermoTools-0.2.45.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PetThermoTools
-Version: 0.2.43
+Version: 0.2.45
 Summary: PetThermoTools
 Home-page: https://github.com/gleesonm1/PetThermoTools
 Author: Matthew Gleeson

{PetThermoTools-0.2.43.dist-info → PetThermoTools-0.2.45.dist-info}/RECORD

@@ -1,20 +1,20 @@
-PetThermoTools/Barom.py,sha256=HKd1TTHHl0FnM_SGb0qC7KqH7rybyVixVMH7Wph-nk8,46613
+PetThermoTools/Barom.py,sha256=6LObqDzICfgBTH3ki9mt8yd-2EgTZIAO55p5BwfiBBk,47113
 PetThermoTools/Compositions.py,sha256=65NzfduzWdfHJ8VmHBN1Cv7fMz7kF3QbDVLei-e4v00,1483
 PetThermoTools/GenFuncs.py,sha256=oMV3FYIpfHNpGZloN5a6Vr8Sv_5IRsKt4hHIUNbDu24,19996
 PetThermoTools/Holland.py,sha256=udBFeVUyTBpSfLIhx7Hy6o0I8ApNCDvwU_gZa0diY5w,7251
 PetThermoTools/Installation.py,sha256=UfVOW1NZFdzMWPyID5u7t0KwvpJA0AqYohzidXIAwYs,6098
 PetThermoTools/Liq.py,sha256=4tOnVROXr7V6cfvZceKidFT9J20TZE3Om2oem92QC4s,36842
-PetThermoTools/MELTS.py,sha256=2WB4Y11i7yfTM5dRjEr-KrJY2_7f1kLaW4V0di6Qnew,76511
-PetThermoTools/Melting.py,sha256=D4mXTrKkoUPK8dAuHPQRAnK79owI23W7JBmUMvm1DVU,15332
-PetThermoTools/Path.py,sha256=l_2ttEa1qP7vL1vVmbOoztpFIIjJLk4jUJTudI6nI00,39436
-PetThermoTools/Path_wrappers.py,sha256=gUxs_4Qbk4MLlLl4iySxfbfKU34588bIJAYyhHmhFdc,30177
+PetThermoTools/MELTS.py,sha256=sH2sadG2vhr1be0kkMGB_rFJbjF0XDiJ4EZItGRjlD0,76730
+PetThermoTools/Melting.py,sha256=19rFcTegaB04Dx3bsclbLdjzlegJHGlMRn2QnccLqQw,15718
+PetThermoTools/Path.py,sha256=MOQMN9jIBbSsqXD1BCHsWoMPOWphqCYCKQvmm88mltA,39580
+PetThermoTools/Path_wrappers.py,sha256=Ht-hAxrJvHq6jc8M5LEL319n47zinOu_rCvvaM5G4Lg,30260
 PetThermoTools/PhaseDiagrams.py,sha256=sjjX84LK34m_OjsKCV78zpzRDAXG7oaLu_Z5BxwB_3I,30298
 PetThermoTools/Plotting.py,sha256=KxBNT2nqqrVn9dsAIjGk1hMUVRq7r-WrG_b9quNcRMo,37295
 PetThermoTools/Saturation.py,sha256=3liK4WDVtl5DWpMpE_tQ_fONBCZTctkiNeCXCuNmXoM,29961
 PetThermoTools/__init__.py,sha256=PbiwQj_mNNEwuIZOLETmtMMshiXa50wjCA6mfvpOpOs,2393
-PetThermoTools/_version.py,sha256=68l4yYMIdTzlrR6yCoKXpHFZ6zlV-3fLMMyjvwsFwQ4,296
-PetThermoTools-0.2.43.dist-info/LICENSE.txt,sha256=-mkx4iEw8Pk1RZUvncBhGLW87Uur5JB7FBQtOmX-VP0,1752
-PetThermoTools-0.2.43.dist-info/METADATA,sha256=z0BojW2W4owvI6xRKBBidPHO-o7w83BXy-5AtFQVE1c,773
-PetThermoTools-0.2.43.dist-info/WHEEL,sha256=tZoeGjtWxWRfdplE7E3d45VPlLNQnvbKiYnx7gwAy8A,92
-PetThermoTools-0.2.43.dist-info/top_level.txt,sha256=IqK8iYBR3YJozzMOTRZ8x8mU2k6x8ycoMBxZTm-I06U,15
-PetThermoTools-0.2.43.dist-info/RECORD,,
+PetThermoTools/_version.py,sha256=aO6nD2-_TYFrY_TLmEbkDg2SutbHKOk3GYXyyizX_b4,296
+PetThermoTools-0.2.45.dist-info/LICENSE.txt,sha256=-mkx4iEw8Pk1RZUvncBhGLW87Uur5JB7FBQtOmX-VP0,1752
+PetThermoTools-0.2.45.dist-info/METADATA,sha256=GDY65Q6Z12Ur8VgA8YxG_ZMsS8Zl_EBE0dA72cXbfDU,773
+PetThermoTools-0.2.45.dist-info/WHEEL,sha256=tZoeGjtWxWRfdplE7E3d45VPlLNQnvbKiYnx7gwAy8A,92
+PetThermoTools-0.2.45.dist-info/top_level.txt,sha256=IqK8iYBR3YJozzMOTRZ8x8mU2k6x8ycoMBxZTm-I06U,15
+PetThermoTools-0.2.45.dist-info/RECORD,,