initialization and minor changes

src/hyspecppt/hppt/hppt_model.py

@@ -5,23 +5,23 @@
 import numpy as np
 from scipy.constants import e, hbar, m_n
 
-from .experiment_settings import DEFAULT_EXPERIMENT, PLOT_TYPES, MaxQ
+from .experiment_settings import DEFAULT_CROSSHAIR, DEFAULT_EXPERIMENT, DEFAULT_LATTICE, DEFAULT_MODE, PLOT_TYPES, MaxQ
 
 logger = logging.getLogger("hyspecppt")
 
 
 class SingleCrystalParameters:
     """Model for single crystal calculations"""
 
-    a: float
-    b: float
-    c: float
-    alpha: float
-    beta: float
-    gamma: float
-    h: float
-    k: float
-    l: float
+    a: float = DEFAULT_LATTICE["a"]
+    b: float = DEFAULT_LATTICE["b"]
+    c: float = DEFAULT_LATTICE["c"]
+    alpha: float = DEFAULT_LATTICE["alpha"]
+    beta: float = DEFAULT_LATTICE["beta"]
+    gamma: float = DEFAULT_LATTICE["gamma"]
+    h: float = DEFAULT_LATTICE["h"]
+    k: float = DEFAULT_LATTICE["k"]
+    l: float = DEFAULT_LATTICE["l"]
 
     def __init__(self) -> None:
         """Constructor"""
@@ -97,9 +97,9 @@ def calculate_modQ(self) -> float:
 class CrosshairParameters:
     """Model for the crosshair parameters"""
 
-    modQ: float
-    DeltaE: float
-    current_experiment_type: str
+    modQ: float = DEFAULT_CROSSHAIR["modQ"]
+    DeltaE: float = DEFAULT_CROSSHAIR["DeltaE"]
+    current_experiment_type: str = DEFAULT_MODE["current_experiment_type"]
     sc_parameters: SingleCrystalParameters
     experiment_types = ["single_crystal", "powder"]
 

tests/hppt_model/test_HyspecPPTModel.py → tests/hppt_model/test_hyspecpptmodel.py

@@ -1,6 +1,6 @@
 import numpy as np  # noqa: F401
 
-import hyspecppt.hppt.hppt_model as hppt_model  # noqa: F401
+from hyspecppt.hppt.hppt_model import HyspecPPTModel  # noqa: F401
 
 
 def test_single_crystal_parameter_set_parameters():

tests/hppt_model/test_single_crystal_model.py

@@ -1,11 +1,11 @@
 import numpy as np
 
-import hyspecppt.hppt.hppt_model as hppt_model
+from hyspecppt.hppt.hppt_model import CrosshairParameters, SingleCrystalParameters
 
 
 def test_single_crystal_parameter_set_parameters():
     """Test SingleCrystalParameters set_parameters function"""
-    scp = hppt_model.SingleCrystalParameters()
+    scp = SingleCrystalParameters()
     sc_data = {"a": 1.0, "b": 1.0, "c": 1.0, "alpha": 90.0, "beta": 90, "gamma": 90, "h": 0, "k": 0, "l": 0}
     scp.set_parameters(sc_data)
 
@@ -22,7 +22,7 @@ def test_single_crystal_parameter_set_parameters():
 
 def test_single_crystal_parameter_get_parameters():
     """Test SingleCrystalParameters get_parameters function"""
-    scp = hppt_model.SingleCrystalParameters()
+    scp = SingleCrystalParameters()
     sc_data = {"a": 1.0, "b": 1.0, "c": 1.0, "alpha": 90.0, "beta": 90, "gamma": 90, "h": 0, "k": 0, "l": 0}
     scp.set_parameters(sc_data)
 
@@ -39,7 +39,7 @@ def test_single_crystal_parameter_get_parameters():
 
 def test_single_crystal_parameter_calculate_modQ():
     """Test SingleCrystalParameters calculate_modQ function"""
-    scp = hppt_model.SingleCrystalParameters()
+    scp = SingleCrystalParameters()
     sc_data = {"a": 1.0, "b": 1.0, "c": 1.0, "alpha": 90.0, "beta": 90, "gamma": 90, "h": 0, "k": 0, "l": 0}
     scp.set_parameters(sc_data)
     assert scp.calculate_modQ() == 0.0
@@ -65,7 +65,7 @@ def test_single_crystal_parameter_calculate_modQ():
 
 def test_cross_hair_parameters_set_crosshair():
     """Test Crosshair set_crosshair function"""
-    cp = hppt_model.CrosshairParameters()
+    cp = CrosshairParameters()
     current_experiment_type = "single_crystal"
     DeltaE = 10.0
     modQ = 1.23
@@ -82,7 +82,7 @@ def test_cross_hair_parameters_set_crosshair():
 
 def test_get_cross_hair_parameters_set_crosshair():
     """Test Crosshair get_crosshair function"""
-    cp = hppt_model.CrosshairParameters()
+    cp = CrosshairParameters()
     current_experiment_type = "single_crystal"
     DeltaE = 10.0
     modQ = 1.23