[WIP] Dealing with custom grids

gempy/API/compute_API.py

@@ -20,7 +20,8 @@
 dotenv.load_dotenv()
 
 
-def compute_model(gempy_model: GeoModel, engine_config: Optional[GemPyEngineConfig] = None) -> Solutions:
+def compute_model(gempy_model: GeoModel, engine_config: Optional[GemPyEngineConfig] = None,
+                  **kwargs) -> Solutions:
     """
     Compute the geological model given the provided GemPy model.
 
@@ -61,7 +62,7 @@ def compute_model(gempy_model: GeoModel, engine_config: Optional[GemPyEngineConf
         case _:
             raise ValueError(f'Backend {engine_config} not supported')
 
-    if os.getenv("VALIDATE_SERIALIZATION", False):
+    if os.getenv("VALIDATE_SERIALIZATION", False) and kwargs.get("validate_serialization", True):
         from ..modules.serialization.save_load import save_model
         import tempfile
         with tempfile.NamedTemporaryFile(mode='w+', delete=True) as tmp:
@@ -90,7 +91,7 @@ def compute_model_at(gempy_model: GeoModel, at: np.ndarray,
         xyz_coord=at
     )
 
-    sol = compute_model(gempy_model, engine_config)
+    sol = compute_model(gempy_model, engine_config, validate_serialization=False)
     return sol.raw_arrays.custom
 
 

gempy/API/grid_API.py

@@ -86,7 +86,7 @@ def set_topography_from_file(grid: Grid, filepath: str, crop_to_extent: Union[Se
 
 
 def set_custom_grid(grid: Grid, xyz_coord: np.ndarray):
-    custom_grid = CustomGrid(xyx_coords=xyz_coord)
+    custom_grid = CustomGrid(values=xyz_coord)
     grid.custom_grid = custom_grid
 
     set_active_grid(grid, [Grid.GridTypes.CUSTOM])

gempy/core/data/grid_modules/grid_types.py

@@ -255,6 +255,7 @@ def plot_rotation(regular_grid, pivot, point_x_axis, point_y_axis):
         plt.show()
 
 
+@dataclasses.dataclass
 class Sections:
     """
     Object that creates a grid of cross sections between two points.
@@ -364,6 +365,7 @@ def get_section_grid(self, section_name: str):
         return self.values[l0:l1]
 
 
+@dataclasses.dataclass
 class CustomGrid:
     """Object that contains arbitrary XYZ coordinates.
 
@@ -374,26 +376,20 @@ class CustomGrid:
         values (np.ndarray): XYZ coordinates
     """
 
-    def __init__(self, xyx_coords: np.ndarray):
-        self.values = np.zeros((0, 3))
-        self.set_custom_grid(xyx_coords)
-
-    def set_custom_grid(self, custom_grid: np.ndarray):
-        """
-        Give the coordinates of an external generated grid
-
-        Args:
-            custom_grid (numpy.ndarray like): XYZ (in columns) of the desired coordinates
-
-        Returns:
-              numpy.ndarray: Unraveled 3D numpy array where every row correspond to the xyz coordinates of a regular
-               grid
-        """
-        custom_grid = np.atleast_2d(custom_grid)
+    values: np.ndarray = Field(
+        exclude=True, 
+        default_factory=lambda: np.zeros((0, 3)),
+        repr=False
+    )
+
+
+    def __post_init__(self):
+        custom_grid = np.atleast_2d(self.values)
         assert type(custom_grid) is np.ndarray and custom_grid.shape[1] == 3, \
             'The shape of new grid must be (n,3)  where n is the number of' \
             ' points of the grid'
 
-        self.values = custom_grid
-        self.length = self.values.shape[0]
-        return self.values
+
+    @property
+    def length(self):
+        return self.values.shape[0]

gempy/modules/serialization/save_load.py

@@ -1,3 +1,5 @@
+import re
+
 from typing import Literal
 
 import warnings
@@ -142,15 +144,15 @@ def _validate_serialization(original_model, model_deserialized):
     o_b = hash(model_deserialized.structural_frame.orientations_copy.data.tobytes())
     assert a == b, "Hashes for surface points are not equal"
     assert o_a == o_b, "Hashes for orientations are not equal"
-    original_model___str__ = original_model.__str__()
-    deserialized___str__ = model_deserialized.__str__()
+    original_model___str__ =  re.sub(r'\s+', ' ', original_model.__str__())
+    deserialized___str__ = re.sub(r'\s+', ' ', model_deserialized.__str__())
     if original_model___str__ != deserialized___str__:
         # Find first char that is not the same
         for i in range(min(len(original_model___str__), len(deserialized___str__))):
             if original_model___str__[i] != deserialized___str__[i]:
                 break
         print(f"First difference at index {i}:")
-        i1 = 50
+        i1 = 10
         print(f"Original: {original_model___str__[i - i1:i + i1]}")
         print(f"Deserialized: {deserialized___str__[i - i1:i + i1]}")
 

test/test_modules/test_grids/test_custom_grid.py

@@ -1,6 +1,7 @@
 import numpy as np
 import pytest
 
+from gempy.modules.serialization.save_load import verify_model_serialization
 from test.conftest import TEST_SPEED, TestSpeed
 import gempy as gp
 from gempy.core.data.enumerators import ExampleModel
@@ -32,7 +33,13 @@ def test_custom_grid():
         xyz_coord=xyz_coord
     )
 
-    sol: gp.data.Solutions = gp.compute_model(geo_model)
+    verify_model_serialization(
+        model=geo_model,
+        verify_moment="after",
+        file_name=f"verify/{geo_model.meta.name}"
+    )
+
+    sol: gp.data.Solutions = gp.compute_model(geo_model, validate_serialization=False)
     np.testing.assert_array_equal(
         sol.raw_arrays.custom,
         np.array([3., 3., 3., 3., 1., 1., 1., 1.])

test/test_modules/test_grids/test_custom_grid.test_custom_grid.verify/fold.approved.txt

@@ -0,0 +1,148 @@
+{
+    "meta": {
+        "name": "fold",
+        "creation_date": "<DATE_IGNORED>",
+        "last_modification_date": null,
+        "owner": null
+    },
+    "structural_frame": {
+        "structural_groups": [
+            {
+                "name": "Strat_Series",
+                "elements": [
+                    {
+                        "name": "rock2",
+                        "is_active": true,
+                        "_color": "#9f0052",
+                        "surface_points": {
+                            "name_id_map": {
+                                "rock1": 67239155,
+                                "rock2": 117776925
+                            },
+                            "_model_transform": null
+                        },
+                        "orientations": {
+                            "name_id_map": {
+                                "rock1": 67239155,
+                                "rock2": 117776925
+                            },
+                            "_model_transform": null
+                        },
+                        "scalar_field_at_interface": null,
+                        "_id": 117776925
+                    },
+                    {
+                        "name": "rock1",
+                        "is_active": true,
+                        "_color": "#015482",
+                        "surface_points": {
+                            "name_id_map": {
+                                "rock1": 67239155,
+                                "rock2": 117776925
+                            },
+                            "_model_transform": null
+                        },
+                        "orientations": {
+                            "name_id_map": {
+                                "rock1": 67239155,
+                                "rock2": 117776925
+                            },
+                            "_model_transform": null
+                        },
+                        "scalar_field_at_interface": null,
+                        "_id": 67239155
+                    }
+                ],
+                "structural_relation": 1,
+                "fault_relations": null,
+                "faults_input_data": null,
+                "solution": null
+            }
+        ],
+        "is_dirty": true,
+        "basement_color": "#ffbe00",
+        "binary_meta_data": {
+            "sp_binary_length": 1296
+        }
+    },
+    "grid": {
+        "_octree_grid": {
+            "resolution": [
+                32,
+                32,
+                32
+            ],
+            "extent": [
+                0.0,
+                1000.0,
+                0.0,
+                1000.0,
+                0.0,
+                1000.0
+            ],
+            "_transform": null
+        },
+        "_dense_grid": null,
+        "_custom_grid": {},
+        "_topography": null,
+        "_sections": null,
+        "_centered_grid": null,
+        "_transform": null,
+        "_octree_levels": -1,
+        "active_grids": 1029
+    },
+    "geophysics_input": null,
+    "input_transform": {
+        "position": [
+            -500.0,
+            -500.0,
+            -510.0
+        ],
+        "rotation": [
+            0.0,
+            0.0,
+            0.0
+        ],
+        "scale": [
+            0.0005,
+            0.0005,
+            0.0005
+        ],
+        "_is_default_transform": false,
+        "_cached_pivot": null
+    },
+    "_interpolation_options": {
+        "kernel_options": {
+            "range": 1.7,
+            "c_o": 10.0,
+            "uni_degree": 1,
+            "i_res": 4.0,
+            "gi_res": 2.0,
+            "number_dimensions": 3,
+            "kernel_function": "cubic",
+            "kernel_solver": 1,
+            "compute_condition_number": false,
+            "optimizing_condition_number": false,
+            "condition_number": null
+        },
+        "evaluation_options": {
+            "_number_octree_levels": 2,
+            "_number_octree_levels_surface": 4,
+            "octree_curvature_threshold": -1.0,
+            "octree_error_threshold": 1.0,
+            "octree_min_level": 2,
+            "mesh_extraction": true,
+            "mesh_extraction_masking_options": 3,
+            "mesh_extraction_fancy": true,
+            "evaluation_chunk_size": 500000,
+            "compute_scalar_gradient": false,
+            "verbose": false
+        },
+        "debug": true,
+        "cache_mode": 3,
+        "cache_model_name": "fold",
+        "block_solutions_type": 1,
+        "sigmoid_slope": 5000000,
+        "debug_water_tight": false
+    }
+}

test/test_modules/test_serialize_model.test_generate_horizontal_stratigraphic_model.verify/Horizontal Stratigraphic Model serialization.approved.txt

@@ -91,6 +91,7 @@
         "_octree_levels": -1,
         "active_grids": 1026
     },
+    "geophysics_input": null,
     "input_transform": {
         "position": [
             -500.0,