Loading src/tgreft/utils/data/dataloader.py +42 −38 Original line number Diff line number Diff line """Config parser module for synthetic data generation.""" from refl1d.names import ( Slab, SLD, Loading @@ -5,7 +6,7 @@ from refl1d.names import ( class DataLoader: """Add description of the class here""" """Load config and make sample from config dict.""" default_dict = { "parameters": { Loading @@ -31,6 +32,7 @@ class DataLoader: """ self.param = input_dict.get("parameters", self.default_dict["parameters"]) if self.param: self.q_min = self.param.get("q_min", self.default_dict["parameters"]["q_min"]) self.q_max = self.param.get("q_max", self.default_dict["parameters"]["q_max"]) Loading @@ -44,9 +46,10 @@ class DataLoader: "transition_midpoint", self.default_dict["parameters"]["transition_midpoint"] ) self.sample = self.create_sample_from_dict(input_dict.get("materials")) self.sample = create_sample_from_dict(input_dict.get("materials")) def create_slab_chunk(self, material: dict) -> "Slab": def create_slab_chunk(material: dict) -> "Slab": """Return a slab chunk built from given configuration. Parameters Loading @@ -72,7 +75,8 @@ class DataLoader: return slab def create_sample_from_dict(self, input_dict: list) -> Slab: def create_sample_from_dict(input_dict: list) -> Slab: """Return a slab instance built from given configuration. Parameters Loading @@ -86,8 +90,8 @@ class DataLoader: The slab instance. """ sample = self.create_slab_chunk(input_dict[0]) sample = create_slab_chunk(input_dict[0]) for i in range(1, len(input_dict)): sample = sample | self.create_slab_chunk(input_dict[i]) sample = sample | create_slab_chunk(input_dict[i]) return sample src/tgreft/utils/data/r_curve_generator.py +24 −22 Original line number Diff line number Diff line import json import numpy as np import math import numpy as np from refl1d.names import QProbe, Experiment from dataloader import DataLoader from tgreft.utils.data.dataloader import DataLoader class RCurveGenerator: Loading @@ -21,11 +18,11 @@ class RCurveGenerator: self.data = data self.probe, self.tr_probe = create_probes(data.q_min, data.q_max, data.step_size) self.expt = Experiment(probe=self.probe, sample=self.data.sample) self.r_final, self.r_init = get_states( self._r_final, self._r_init = get_states( self.expt, self.data.final_sei_sld, self.data.simulate_errors, self.data.err ) self.tr_expt = Experiment(probe=self.tr_probe, sample=self.data.sample) self.tr_data, self.rho_data = generate_tNR( self._tr_data, self._rho_data = generate_tNR( self.tr_expt, self.data.total_time, self.data.transition_time, Loading @@ -36,7 +33,7 @@ class RCurveGenerator: ) @property def get_r_final(self) -> list: def r_final(self) -> list: """Returns a list from the RCurveGenerator object instance. Returns Loading @@ -45,10 +42,10 @@ class RCurveGenerator: r_final list """ return self.r_final return self._r_final @property def get_r_init(self) -> list: def r_init(self) -> list: """Returns a list from the object instance. Returns Loading @@ -57,10 +54,10 @@ class RCurveGenerator: r_init list """ return self.r_init return self._r_init @property def get_tr_data(self) -> list: def tr_data(self) -> list: """Returns a list from the object instance. Returns Loading @@ -69,10 +66,10 @@ class RCurveGenerator: tr_data list """ return self.tr_data return self._tr_data @property def get_rho_data(self) -> list: def rho_data(self) -> list: """Returns a list from the object instance. Returns Loading @@ -81,7 +78,7 @@ class RCurveGenerator: rho_data list """ return self.rho_data return self._rho_data def create_probes(q_min: float, q_max: float, step_size: float, resolution: float = 0.028) -> tuple: Loading Loading @@ -174,16 +171,17 @@ def generate_tNR( tr_expt : Experiment Subset of experiment total_time : int total time to run transition_time : int time to transition transition_midpoint : int midpoint of transition final_sei_sld : float final sei sld constant simulate_errors : bool boolean indicating whether you want to include error or not in simulation err : float error constant Returns ------- Loading Loading @@ -213,8 +211,12 @@ def generate_tNR( if __name__ == "__main__": f = open("data.json", "r") import sys json_file_name = sys.argv[1] f = open(json_file_name, "r") data = json.load(f) dataloader = DataLoader(data) rc = RCurveGenerator(dataloader) print(rc.get_r_init) print(rc.r_init, rc.r_final, rc.tr_data, rc.rho_data) Loading
src/tgreft/utils/data/dataloader.py +42 −38 Original line number Diff line number Diff line """Config parser module for synthetic data generation.""" from refl1d.names import ( Slab, SLD, Loading @@ -5,7 +6,7 @@ from refl1d.names import ( class DataLoader: """Add description of the class here""" """Load config and make sample from config dict.""" default_dict = { "parameters": { Loading @@ -31,6 +32,7 @@ class DataLoader: """ self.param = input_dict.get("parameters", self.default_dict["parameters"]) if self.param: self.q_min = self.param.get("q_min", self.default_dict["parameters"]["q_min"]) self.q_max = self.param.get("q_max", self.default_dict["parameters"]["q_max"]) Loading @@ -44,9 +46,10 @@ class DataLoader: "transition_midpoint", self.default_dict["parameters"]["transition_midpoint"] ) self.sample = self.create_sample_from_dict(input_dict.get("materials")) self.sample = create_sample_from_dict(input_dict.get("materials")) def create_slab_chunk(self, material: dict) -> "Slab": def create_slab_chunk(material: dict) -> "Slab": """Return a slab chunk built from given configuration. Parameters Loading @@ -72,7 +75,8 @@ class DataLoader: return slab def create_sample_from_dict(self, input_dict: list) -> Slab: def create_sample_from_dict(input_dict: list) -> Slab: """Return a slab instance built from given configuration. Parameters Loading @@ -86,8 +90,8 @@ class DataLoader: The slab instance. """ sample = self.create_slab_chunk(input_dict[0]) sample = create_slab_chunk(input_dict[0]) for i in range(1, len(input_dict)): sample = sample | self.create_slab_chunk(input_dict[i]) sample = sample | create_slab_chunk(input_dict[i]) return sample
src/tgreft/utils/data/r_curve_generator.py +24 −22 Original line number Diff line number Diff line import json import numpy as np import math import numpy as np from refl1d.names import QProbe, Experiment from dataloader import DataLoader from tgreft.utils.data.dataloader import DataLoader class RCurveGenerator: Loading @@ -21,11 +18,11 @@ class RCurveGenerator: self.data = data self.probe, self.tr_probe = create_probes(data.q_min, data.q_max, data.step_size) self.expt = Experiment(probe=self.probe, sample=self.data.sample) self.r_final, self.r_init = get_states( self._r_final, self._r_init = get_states( self.expt, self.data.final_sei_sld, self.data.simulate_errors, self.data.err ) self.tr_expt = Experiment(probe=self.tr_probe, sample=self.data.sample) self.tr_data, self.rho_data = generate_tNR( self._tr_data, self._rho_data = generate_tNR( self.tr_expt, self.data.total_time, self.data.transition_time, Loading @@ -36,7 +33,7 @@ class RCurveGenerator: ) @property def get_r_final(self) -> list: def r_final(self) -> list: """Returns a list from the RCurveGenerator object instance. Returns Loading @@ -45,10 +42,10 @@ class RCurveGenerator: r_final list """ return self.r_final return self._r_final @property def get_r_init(self) -> list: def r_init(self) -> list: """Returns a list from the object instance. Returns Loading @@ -57,10 +54,10 @@ class RCurveGenerator: r_init list """ return self.r_init return self._r_init @property def get_tr_data(self) -> list: def tr_data(self) -> list: """Returns a list from the object instance. Returns Loading @@ -69,10 +66,10 @@ class RCurveGenerator: tr_data list """ return self.tr_data return self._tr_data @property def get_rho_data(self) -> list: def rho_data(self) -> list: """Returns a list from the object instance. Returns Loading @@ -81,7 +78,7 @@ class RCurveGenerator: rho_data list """ return self.rho_data return self._rho_data def create_probes(q_min: float, q_max: float, step_size: float, resolution: float = 0.028) -> tuple: Loading Loading @@ -174,16 +171,17 @@ def generate_tNR( tr_expt : Experiment Subset of experiment total_time : int total time to run transition_time : int time to transition transition_midpoint : int midpoint of transition final_sei_sld : float final sei sld constant simulate_errors : bool boolean indicating whether you want to include error or not in simulation err : float error constant Returns ------- Loading Loading @@ -213,8 +211,12 @@ def generate_tNR( if __name__ == "__main__": f = open("data.json", "r") import sys json_file_name = sys.argv[1] f = open(json_file_name, "r") data = json.load(f) dataloader = DataLoader(data) rc = RCurveGenerator(dataloader) print(rc.get_r_init) print(rc.r_init, rc.r_final, rc.tr_data, rc.rho_data)
