gebpy 1.1.3__py3-none-any.whl

gebpy/modules/petrophysics.py

@@ -0,0 +1,98 @@
+#!/usr/bin/env python
+# -*-coding: utf-8 -*-
+
+#-----------------------------------------------
+
+# Name:		petrophysics.py
+# Author:	Maximilian A. Beeskow
+# Version:	1.0
+# Date:		24.10.2023
+
+#-----------------------------------------------
+
+## MODULES
+import numpy as np
+import random as rd
+
+## METHODS
+class SolidProperties:
+    #
+    def __init__(self, value_amount, value_property):
+        self.value_amount = value_amount
+        self.value_property = value_property
+    #
+    def calculate_solid_density(self):
+        pass
+
+class SeismicVelocities:
+    #
+    def __init__(self, rho_solid, rho_fluid):
+        self.rho_solid = rho_solid
+        self.rho_fluid = rho_fluid
+    #
+    def calculate_seismic_velocities(self, rho_limits, vP_limits, vS_limits, delta, porosity):
+        ## Density
+        rho_min = rho_limits[0]
+        rho_max = rho_limits[1]
+        ## Seismic Velocities
+        center = 1.00
+        upper_limit = center + delta
+        lower_limit = center - delta
+        #
+        # P-Wave
+        vP_min_theo = vP_limits[0]
+        vP_max_theo = vP_limits[1]
+        vP_min_sim_upper = int(rd.uniform(center, upper_limit)*vP_min_theo)
+        vP_mib_sim_lower = int(rd.uniform(lower_limit, center)*vP_min_theo)
+        vP_max_sim_upper = int(rd.uniform(center, upper_limit)*vP_max_theo)
+        vP_max_sim_lower = int(rd.uniform(lower_limit, center)*vP_max_theo)
+        vP_min = rd.randint(vP_mib_sim_lower, vP_min_sim_upper)
+        vP_max = rd.randint(vP_max_sim_lower, vP_max_sim_upper)
+        #
+        # S-Wave
+        vS_min_theo = vS_limits[0]
+        vS_max_theo = vS_limits[1]
+        vS_min_sim_upper = int(rd.uniform(center, upper_limit)*vS_min_theo)
+        vS_mib_sim_lower = int(rd.uniform(lower_limit, center)*vS_min_theo)
+        vS_max_sim_upper = int(rd.uniform(center, upper_limit)*vS_max_theo)
+        vS_max_sim_lower = int(rd.uniform(lower_limit, center)*vS_max_theo)
+        vS_min = rd.randint(vS_mib_sim_lower, vS_min_sim_upper)
+        vS_max = rd.randint(vS_max_sim_lower, vS_max_sim_upper)
+        #
+        constant_a_P = (vP_max - vP_min)/(rho_max - rho_min)
+        constant_b_P = vP_max - constant_a_P*rho_max
+        constant_a_S = (vS_max - vS_min)/(rho_max - rho_min)
+        constant_b_S = vS_max - constant_a_S*rho_max
+        #
+        condition_v = False
+        while condition_v == False:
+            ## Porosity
+            var_porosity = round(rd.uniform(porosity[0], porosity[1]), 4)
+            #
+            ## Density
+            rho = round((1 - var_porosity)*self.rho_solid + var_porosity*self.rho_fluid, 3)
+            #
+            ## Seismic Velocities
+            vP = constant_a_P * rho + constant_b_P
+            #
+            if vP_min <= vP <= vP_max:
+                vS = constant_a_S * rho + constant_b_S
+                if vS_min <= vS <= vS_max:
+                    condition_v = True
+            #     else:
+            #         print("rho:", rho, "vS:", vS)
+            # else:
+            #    print("rho:", rho, "vP:", vP, vP_max, vP_min)
+        #
+        vPvS = round(vP/vS, 4)
+        #
+        return vP, vS, vPvS, rho, var_porosity
+    #
+    def calculate_elastic_properties(self, rho, vP, vS):
+        ## Elastic Parameters
+        bulk_modulus = round(rho*(vP**2 - 4/3*vS**2)*10**(-9), 3)
+        shear_modulus = round((rho*vS**2)*10**(-9), 3)
+        youngs_modulus = round((9*bulk_modulus*shear_modulus)/(3*bulk_modulus + shear_modulus), 3)
+        poisson_ratio = round((3*bulk_modulus - 2*shear_modulus)/(6*bulk_modulus + 2*shear_modulus), 4)
+        #
+        return bulk_modulus, shear_modulus, youngs_modulus, poisson_ratio

gebpy/modules/phosphates.py

@@ -0,0 +1,589 @@
+#!/usr/bin/env python
+# -*-coding: utf-8 -*-
+
+# -----------------------------------------------
+
+# Name:		phosphates.py
+# Author:	Maximilian A. Beeskow
+# Version:	1.0
+# Date:		16.11.2023
+
+# -----------------------------------------------
+
+# MODULES
+import numpy as np
+import random as rd
+from scipy import stats
+from modules.chemistry import PeriodicSystem, DataProcessing, OxideCompounds
+from modules.minerals import CrystalPhysics
+from modules.geophysics import BoreholeGeophysics as bg
+from modules.geophysics import WellLog as wg
+from modules.geochemistry import MineralChemistry, TraceElements
+#
+# Phosphates
+class Phosphates:
+    """ Class that generates geophysical and geochemical data of phosphate minerals"""
+    #
+    def __init__(self, traces_list=[], impurity="pure", data_type=False, mineral=None):
+        self.traces_list = traces_list
+        self.impurity = impurity
+        self.data_type = data_type
+        self.mineral = mineral
+    #
+    def generate_dataset(self, number):
+        dataset = {}
+        #
+        for index in range(number):
+            if self.mineral == "Apatite":
+                data_mineral = self.create_aptite()
+            elif self.mineral == "Fluoroapatite":
+                data_mineral = self.create_aptite_f()
+            elif self.mineral == "Chloroapatite":
+                data_mineral = self.create_aptite_cl()
+            elif self.mineral == "Hydroxyapatite":
+                data_mineral = self.create_aptite_oh()
+            #
+            for key, value in data_mineral.items():
+                if key in ["M", "rho", "rho_e", "V", "vP", "vS", "vP/vS", "K", "G", "E", "nu", "GR", "PE", "U", "p"]:
+                    if key not in dataset:
+                        dataset[key] = [value]
+                    else:
+                        dataset[key].append(value)
+                elif key in ["mineral", "state", "trace elements"] and key not in dataset:
+                    dataset[key] = value
+                elif key in ["chemistry", "compounds"]:
+                    if key not in dataset:
+                        dataset[key] = {}
+                        for key_2, value_2 in value.items():
+                            dataset[key][key_2] = [value_2]
+                    else:
+                        for key_2, value_2 in value.items():
+                            dataset[key][key_2].append(value_2)
+        #
+        return dataset
+    #
+    def create_aptite_f(self):   # Ca5 F (PO4)3
+        # Major elements
+        oxygen = PeriodicSystem(name="O").get_data()
+        fluorine = PeriodicSystem(name="F").get_data()
+        phosphorus = PeriodicSystem(name="P").get_data()
+        calcium = PeriodicSystem(name="Ca").get_data()
+        majors_name = ["O", "F", "P", "Ca"]
+        majors_data = np.array([["O", oxygen[1], 12, oxygen[2]], ["F", fluorine[1], 1, fluorine[2]],
+                                ["P", phosphorus[1], 3, phosphorus[2]], ["Ca", calcium[1], 5, calcium[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "pure":
+            var_state = "fixed"
+        else:
+            var_state = "variable"
+            self.traces_list = []
+            minors_x = ["Ti", "Zr", "Hf", "Th"]         # mainly 4+
+            minors_y = ["La", "Ce", "Pr", "Nd", "Sm", "Eu", "Gd", "Dy", "Y", "Er", "Cr", "As"]  # mainly 3+
+            minors_z = ["Cl", "H", "Rb"]                # mainly 1+
+            minors_w = ["Mn", "Co", "Sr", "Ba", "Pb"]   # mainly 2+
+            if self.impurity == "random":
+                n_x = rd.randint(0, len(minors_x))
+                n_y = rd.randint(0, len(minors_y))
+                n_w = rd.randint(0, len(minors_w))
+                if n_x > 0:
+                    selection_x = rd.sample(minors_x, n_x)
+                    self.traces_list.extend(selection_x)
+                if n_y > 0 and n_w == 0:
+                    n_z = rd.randint(1, n_y)
+                    selection_y = rd.sample(minors_y, n_y)
+                    selection_z = rd.sample(minors_z, n_z)
+                    self.traces_list.extend(selection_y)
+                    self.traces_list.extend(selection_z)
+                if n_w > 0 and n_y == 0:
+                    n_z = rd.randint(1, n_w)
+                    selection_w = rd.sample(minors_w, n_w)
+                    selection_z = rd.sample(minors_z, n_z)
+                    self.traces_list.extend(selection_w)
+                    self.traces_list.extend(selection_z)
+                if n_y > 0 and n_w > 0:
+                    if n_y + n_w <= len(minors_z):
+                        n_z = rd.randint(1, (n_y + n_w))
+                    else:
+                        n_z = len(minors_z)
+                    selection_y = rd.sample(minors_y, n_y)
+                    selection_w = rd.sample(minors_w, n_w)
+                    selection_z = rd.sample(minors_z, n_z)
+                    self.traces_list.extend(selection_y)
+                    self.traces_list.extend(selection_w)
+                    self.traces_list.extend(selection_z)
+            elif self.impurity != "random":
+                self.traces_list = []
+                for element in self.impurity:
+                    if element in minors_x:
+                        self.traces_list.append(element)
+                    elif element in minors_y:
+                        self.traces_list.append(element)
+                    elif element in minors_z:
+                        self.traces_list.append(element)
+                    elif element in minors_w:
+                        self.traces_list.append(element)
+                # minors = ["Cl", "La", "Ce", "Pr", "Nd", "Sm", "Eu", "Gd", "Dy", "Y", "Er", "Mn", "H"]
+                # n = rd.randint(1, len(minors))
+                # while len(self.traces_list) < n:
+                #     selection = rd.choice(minors)
+                #     if selection not in self.traces_list and selection not in majors_name:
+                #         self.traces_list.append(selection)
+                #     else:
+                #         continue
+            traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+            x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+            for i in range(len(self.traces_list)):
+                traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+            if len(traces_data) > 0:
+                traces_data = np.array(traces_data, dtype=object)
+                traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        data = []
+        mineral = "Ap"
+        #
+        # Molar mass
+        try:
+            molar_mass_pure = 5*calcium[2] + fluorine[2] + 3*(phosphorus[2] + 4*oxygen[2])
+            molar_mass, amounts = MineralChemistry(w_traces=traces_data, molar_mass_pure=molar_mass_pure,
+                                                   majors=majors_data).calculate_molar_mass()
+            element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        except:
+            compositon_data = TraceElements(tracer=self.traces_list).calculate_composition_apatite_f()
+            molar_mass = 0
+            amounts = []
+            for element in compositon_data:
+                chem_data = PeriodicSystem(name=element).get_data()
+                molar_mass += compositon_data[element]["x"]*chem_data[2]
+                amounts.append([chem_data[0], chem_data[1], compositon_data[element]["w"]])
+            element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV = CrystalPhysics([[9.367, 6.884], [], "hexagonal"])
+        V = dataV.calculate_volume()
+        Z = 2
+        V_m = MineralChemistry().calculate_molar_volume(volume_cell=V, z=Z)
+        dataRho = CrystalPhysics([molar_mass, Z, V*10**(6)])
+        rho = dataRho.calculate_bulk_density()
+        rho_e = wg(amounts=amounts, elements=element, rho_b=rho).calculate_electron_density()
+        # Bulk modulus
+        K = 83*10**9
+        # Shear modulus
+        G = 41*10**9
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = None
+        #
+        if self.data_type == False:
+            data.append(mineral)
+            data.append(round(molar_mass, 3))
+            data.append(round(rho, 2))
+            data.append([round(K*10**(-9), 2), round(G*10**(-9), 2), round(E*10**(-9), 2), round(nu, 4)])
+            data.append([round(vP, 2), round(vS, 2), round(vPvS, 2)])
+            data.append([round(gamma_ray, 2), round(pe, 2), round(U, 2), p])
+            data.append(amounts)
+            #
+            return data
+        else:
+            #
+            results = {}
+            results["mineral"] = mineral
+            results["M"] = molar_mass
+            results["state"] = var_state
+            element_list = np.array(amounts)[:, 0]
+            results["chemistry"] = {}
+            for index, element in enumerate(element_list, start=0):
+                results["chemistry"][element] = amounts[index][2]
+            results["rho"] = round(rho, 4)
+            results["rho_e"] = round(rho_e, 4)
+            results["V"] = round(V_m, 4)
+            results["vP"] = round(vP, 4)
+            results["vS"] = round(vS, 4)
+            results["vP/vS"] = round(vPvS, 4)
+            results["G"] = round(G*10**(-9), 4)
+            results["K"] = round(K*10**(-9), 4)
+            results["E"] = round(E*10**(-9), 4)
+            results["nu"] = round(nu, 4)
+            results["GR"] = round(gamma_ray, 4)
+            results["PE"] = round(pe, 4)
+            results["U"] = round(U, 4)
+            if p != None:
+                results["p"] = round(p, 4)
+            else:
+                results["p"] = p
+            #
+            return results
+    #
+    def create_aptite_cl(self):   # Ca5 Cl (PO4)3
+        # Major elements
+        oxygen = PeriodicSystem(name="O").get_data()
+        phosphorus = PeriodicSystem(name="P").get_data()
+        chlorine = PeriodicSystem(name="Cl").get_data()
+        calcium = PeriodicSystem(name="Ca").get_data()
+        majors_name = ["O", "P", "Cl", "Ca"]
+        majors_data = np.array([["O", oxygen[1], 12, oxygen[2]], ["P", phosphorus[1], 3, phosphorus[2]],
+                                ["Cl", chlorine[1], 1, chlorine[2]], ["Ca", calcium[1], 5, calcium[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "random":
+            self.traces_list = []
+            minors = ["F", "La", "Ce", "Pr", "Nd", "Sm", "Eu", "Gd", "Dy", "Y", "Er", "Mn", "H"]
+            n = rd.randint(1, len(minors))
+            while len(self.traces_list) < n:
+                selection = rd.choice(minors)
+                if selection not in self.traces_list and selection not in majors_name:
+                    self.traces_list.append(selection)
+                else:
+                    continue
+        traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+        x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+        for i in range(len(self.traces_list)):
+            traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+        if len(traces_data) > 0:
+            traces_data = np.array(traces_data, dtype=object)
+            traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        data = []
+        mineral = "Ap"
+        #
+        # Molar mass
+        molar_mass_pure = 5*calcium[2] + chlorine[2] + 3*(phosphorus[2] + 4*oxygen[2])
+        molar_mass, amounts = MineralChemistry(w_traces=traces_data, molar_mass_pure=molar_mass_pure,
+                                      majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV = CrystalPhysics([[9.598, 6.776], [], "hexagonal"])
+        V = dataV.calculate_volume()
+        Z = 2
+        V_m = MineralChemistry().calculate_molar_volume(volume_cell=V, z=Z)
+        dataRho = CrystalPhysics([molar_mass, Z, V*10**(6)])
+        rho = dataRho.calculate_bulk_density()
+        rho_e = wg(amounts=amounts, elements=element, rho_b=rho).calculate_electron_density()
+        # Bulk modulus
+        K = 98.70*10**9
+        # Shear modulus
+        G = 61.17*10**9
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = None
+        #
+        if self.data_type == False:
+            data.append(mineral)
+            data.append(round(molar_mass, 3))
+            data.append(round(rho, 2))
+            data.append([round(K*10**(-9), 2), round(G*10**(-9), 2), round(E*10**(-9), 2), round(nu, 4)])
+            data.append([round(vP, 2), round(vS, 2), round(vPvS, 2)])
+            data.append([round(gamma_ray, 2), round(pe, 2), round(U, 2), p])
+            data.append(amounts)
+            #
+            return data
+        else:
+            #
+            results = {}
+            results["mineral"] = mineral
+            results["M"] = molar_mass
+            element_list = np.array(amounts)[:, 0]
+            results["chemistry"] = {}
+            for index, element in enumerate(element_list, start=0):
+                results["chemistry"][element] = amounts[index][2]
+            results["rho"] = round(rho, 4)
+            results["rho_e"] = round(rho_e, 4)
+            results["V"] = round(V_m, 4)
+            results["vP"] = round(vP, 4)
+            results["vS"] = round(vS, 4)
+            results["vP/vS"] = round(vPvS, 4)
+            results["G"] = round(G*10**(-9), 4)
+            results["K"] = round(K*10**(-9), 4)
+            results["E"] = round(E*10**(-9), 4)
+            results["nu"] = round(nu, 4)
+            results["GR"] = round(gamma_ray, 4)
+            results["PE"] = round(pe, 4)
+            results["U"] = round(U, 4)
+            if p != None:
+                results["p"] = round(p, 4)
+            else:
+                results["p"] = p
+            #
+            return results
+    #
+    def create_aptite_oh(self):   # Ca5 OH (PO4)3
+        # Major elements
+        hydrogen = PeriodicSystem(name="H").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        phosphorus = PeriodicSystem(name="P").get_data()
+        calcium = PeriodicSystem(name="Ca").get_data()
+        majors_name = ["H", "O", "P", "Ca"]
+        majors_data = np.array([["H", hydrogen[1], 1, hydrogen[2]], ["O", oxygen[1], 13, oxygen[2]],
+                                ["P", phosphorus[1], 3, phosphorus[2]], ["Ca", calcium[1], 5, calcium[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "random":
+            self.traces_list = []
+            minors = ["F", "La", "Ce", "Pr", "Nd", "Sm", "Eu", "Gd", "Dy", "Y", "Er", "Mn", "Cl"]
+            n = rd.randint(1, len(minors))
+            while len(self.traces_list) < n:
+                selection = rd.choice(minors)
+                if selection not in self.traces_list and selection not in majors_name:
+                    self.traces_list.append(selection)
+                else:
+                    continue
+        traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+        x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+        for i in range(len(self.traces_list)):
+            traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+        if len(traces_data) > 0:
+            traces_data = np.array(traces_data, dtype=object)
+            traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        data = []
+        mineral = "Ap"
+        #
+        # Molar mass
+        molar_mass_pure = 5*calcium[2] + (hydrogen[2] + oxygen[2]) + 3*(phosphorus[2] + 4*oxygen[2])
+        molar_mass, amounts = MineralChemistry(w_traces=traces_data, molar_mass_pure=molar_mass_pure,
+                                               majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV = CrystalPhysics([[9.418, 6.875], [], "hexagonal"])
+        V = dataV.calculate_volume()
+        Z = 2
+        V_m = MineralChemistry().calculate_molar_volume(volume_cell=V, z=Z)
+        dataRho = CrystalPhysics([molar_mass, Z, V*10**(6)])
+        rho = dataRho.calculate_bulk_density()
+        rho_e = wg(amounts=amounts, elements=element, rho_b=rho).calculate_electron_density()
+        # Bulk modulus
+        K = 105.01*10**9
+        # Shear modulus
+        G = 62.69*10**9
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = None
+        #
+        if self.data_type == False:
+            data.append(mineral)
+            data.append(round(molar_mass, 3))
+            data.append(round(rho, 2))
+            data.append([round(K*10**(-9), 2), round(G*10**(-9), 2), round(E*10**(-9), 2), round(nu, 4)])
+            data.append([round(vP, 2), round(vS, 2), round(vPvS, 2)])
+            data.append([round(gamma_ray, 2), round(pe, 2), round(U, 2), p])
+            data.append(amounts)
+            #
+            return data
+        else:
+            #
+            results = {}
+            results["mineral"] = mineral
+            results["M"] = molar_mass
+            element_list = np.array(amounts)[:, 0]
+            results["chemistry"] = {}
+            for index, element in enumerate(element_list, start=0):
+                results["chemistry"][element] = amounts[index][2]
+            results["rho"] = round(rho, 4)
+            results["rho_e"] = round(rho_e, 4)
+            results["V"] = round(V_m, 4)
+            results["vP"] = round(vP, 4)
+            results["vS"] = round(vS, 4)
+            results["vP/vS"] = round(vPvS, 4)
+            results["G"] = round(G*10**(-9), 4)
+            results["K"] = round(K*10**(-9), 4)
+            results["E"] = round(E*10**(-9), 4)
+            results["nu"] = round(nu, 4)
+            results["GR"] = round(gamma_ray, 4)
+            results["PE"] = round(pe, 4)
+            results["U"] = round(U, 4)
+            if p != None:
+                results["p"] = round(p, 4)
+            else:
+                results["p"] = p
+            #
+            return results
+    #
+    def create_aptite(self):   # Ca5 (F,Cl,OH) (PO4)3
+        mineral = "Ap"
+        # Major elements
+        hydrogen = PeriodicSystem(name="H").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        fluorine = PeriodicSystem(name="F").get_data()
+        phosphorus = PeriodicSystem(name="P").get_data()
+        chlorine = PeriodicSystem(name="Cl").get_data()
+        calcium = PeriodicSystem(name="Ca").get_data()
+        majors_name = ["H", "O", "F", "P", "Cl", "Ca"]
+        a = round(rd.uniform(0, 1), 4)
+        b = round(rd.uniform(0, (1-a)), 4)
+        c = round(1-a-b, 4)
+        majors_data = np.array([["H", hydrogen[1], c, hydrogen[2]], ["O", oxygen[1], 12+c, oxygen[2]],
+                                ["F", fluorine[1], a, fluorine[2]], ["P", phosphorus[1], 3, phosphorus[2]],
+                                ["Cl", chlorine[1], b, chlorine[2]], ["Ca", calcium[1], 5, calcium[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "random":
+            self.traces_list = []
+            minors = ["La", "Ce", "Pr", "Nd", "Sm", "Eu", "Gd", "Dy", "Y", "Er", "Mn"]
+            n = rd.randint(1, len(minors))
+            while len(self.traces_list) < n:
+                selection = rd.choice(minors)
+                if selection not in self.traces_list and selection not in majors_name:
+                    self.traces_list.append(selection)
+                else:
+                    continue
+        traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+        x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+        for i in range(len(self.traces_list)):
+            traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+        if len(traces_data) > 0:
+            traces_data = np.array(traces_data, dtype=object)
+            traces_data = traces_data[traces_data[:, 1].argsort()]
+        # Molar mass
+        molar_mass_pure = (5*calcium[2] + a*fluorine[2] + b*chlorine[2] + c*(hydrogen[2] + oxygen[2]) + 3*
+                           (phosphorus[2] + 4*oxygen[2]))
+        molar_mass, amounts = MineralChemistry(
+            w_traces=traces_data, molar_mass_pure=molar_mass_pure, majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Oxide Composition
+        list_oxides = ["H2O", "P2O5", "CaO", "Cl", "F"]
+        composition_oxides = {}
+        for var_oxide in list_oxides:
+            oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
+            if self.impurity == "pure":
+                composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
+            else:
+                composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 6)
+
+        if np.isclose(np.sum(list(composition_oxides.values())), 1.0000) == True:
+            condition = True
+        else:
+            pass
+        # Density
+        dataV_F = CrystalPhysics([[9.367, 6.884], [], "hexagonal"])
+        V_F = dataV_F.calculate_volume()
+        Z_F = 2
+        V_m_F = MineralChemistry().calculate_molar_volume(volume_cell=V_F, z=Z_F)*10**(6)
+        dataRho_F = CrystalPhysics([molar_mass, Z_F, V_F*10**(6)])
+        rho_F = dataRho_F.calculate_bulk_density()
+        rho_e_F = wg(amounts=amounts, elements=element, rho_b=rho_F).calculate_electron_density()
+        #
+        dataV_Cl = CrystalPhysics([[9.598, 6.776], [], "hexagonal"])
+        V_Cl = dataV_Cl.calculate_volume()
+        Z_Cl = 2
+        V_m_Cl = MineralChemistry().calculate_molar_volume(volume_cell=V_Cl, z=Z_Cl)*10**(6)
+        dataRho_Cl = CrystalPhysics([molar_mass, Z_Cl, V_Cl*10**(6)])
+        rho_Cl = dataRho_Cl.calculate_bulk_density()
+        rho_e_Cl = wg(amounts=amounts, elements=element, rho_b=rho_Cl).calculate_electron_density()
+        #
+        dataV_OH = CrystalPhysics([[9.418, 6.875], [], "hexagonal"])
+        V_OH = dataV_OH.calculate_volume()
+        Z_OH = 2
+        V_m_OH = MineralChemistry().calculate_molar_volume(volume_cell=V_OH, z=Z_OH)*10**(6)
+        dataRho_OH = CrystalPhysics([molar_mass, Z_OH, V_OH*10**(6)])
+        rho_OH = dataRho_OH.calculate_bulk_density()
+        rho_e_OH = wg(amounts=amounts, elements=element, rho_b=rho_OH).calculate_electron_density()
+        #
+        V_m = a*V_m_F + b*V_m_Cl + c*V_m_OH
+        rho = a*rho_F + b*rho_Cl + c*rho_OH
+        rho_e = a*rho_e_F + b*rho_e_Cl + c*rho_e_OH
+        # Bulk modulus
+        K_F = 83*10**9
+        K_Cl = 98.70*10**9
+        K_OH = 105.01*10**9
+        K = a*K_F + b*K_Cl + c*K_OH
+        # Shear modulus
+        G_F = 41*10**9
+        G_Cl = 61.17*10**9
+        G_OH = 62.69*10**9
+        G = a*G_F + b*G_Cl + c*G_OH
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = None
+        # Results
+        results = {}
+        results["mineral"] = mineral
+        results["M"] = molar_mass
+        element_list = np.array(amounts)[:, 0]
+        results["chemistry"] = {}
+        for index, element in enumerate(element_list, start=0):
+            results["chemistry"][element] = amounts[index][2]
+        results["compounds"] = {}
+        for index, oxide in enumerate(list_oxides, start=0):
+            results["compounds"][oxide] = composition_oxides[oxide]
+        results["rho"] = round(rho, 4)
+        results["rho_e"] = round(rho_e, 4)
+        results["V"] = round(V_m, 4)
+        results["vP"] = round(vP, 4)
+        results["vS"] = round(vS, 4)
+        results["vP/vS"] = round(vPvS, 4)
+        results["G"] = round(G*10**(-9), 4)
+        results["K"] = round(K*10**(-9), 4)
+        results["E"] = round(E*10**(-9), 4)
+        results["nu"] = round(nu, 4)
+        results["GR"] = round(gamma_ray, 4)
+        results["PE"] = round(pe, 4)
+        results["U"] = round(U, 4)
+        if p != None:
+            results["p"] = round(p, 4)
+        else:
+            results["p"] = p
+        #
+        return results