diff --git a/biosimulators_simularium/exec.py b/biosimulators_simularium/exec.py index 87c61d5..801e467 100644 --- a/biosimulators_simularium/exec.py +++ b/biosimulators_simularium/exec.py @@ -41,10 +41,11 @@ def execute( # generate vtp vtp_filename = setup_config.get('vtp_filename', 'simulation.vtp') vtp_filepath: str = os.path.join(working_dir, vtp_filename) - generate_vtp_file(mesh, vtp_filepath) + generate_vtp_file(mesh, filename=vtp_filepath) # generate a simularium file return generate_simularium_file( + trajectory, working_dir, output_dir, agent_params, @@ -55,9 +56,16 @@ def execute( ) -def generate_vtp_file(mesh: pv.PolyData, save_path): - # write the vtp file - return mesh.save(save_path) +def generate_vtp_file(mesh: pv.PolyData, **kwargs): + """write a vtp file to `save_path` based on the `mesh`. Kwargs according to `pv.PolyData().save()` args. + + Keyword Args: + filename:`str`: path in which to save the vtp file. + binary: bool = True, + texture: Any = None, + recompute_normals: Any + """ + return mesh.save(kwargs['filename']) def generate_simularium_file( @@ -128,10 +136,6 @@ def generate_simularium_file( return write_simularium_file(trajectory, simularium_filename=simularium_filepath, json=use_json) -def generate_vtp_file(data=None): - pass - - def execute_generate(write_simularium, write_vtp, **kwargs): # TODO: implement callbacks pass diff --git a/biosimulators_simularium/tests/fixtures/MinE/model.txt b/biosimulators_simularium/tests/fixtures/MinE/model.txt index f90c55b..0361eae 100644 --- a/biosimulators_simularium/tests/fixtures/MinE/model.txt +++ b/biosimulators_simularium/tests/fixtures/MinE/model.txt @@ -22,7 +22,7 @@ define L_PARAM2 1.5 # half of cell length minus radius define NUMBER_MIND 4000 # number of MinD in cell define NUMBER_MINE 1400 # number of MinE in cell -define TIME_STOP 10 # stopping time +define TIME_STOP 3 # stopping time #define KICK_START 1 # start with MinD_ATP at an end diff --git a/biosimulators_simularium/tests/fixtures/crowding/model.txt b/biosimulators_simularium/tests/fixtures/crowding/model.txt index d3bf320..ae5a0bb 100644 --- a/biosimulators_simularium/tests/fixtures/crowding/model.txt +++ b/biosimulators_simularium/tests/fixtures/crowding/model.txt @@ -18,7 +18,7 @@ boundaries z 0 20 frame_thickness 0 -define TIME_STOP 10 +define TIME_STOP 3 time_start 0 time_stop TIME_STOP diff --git a/biosimulators_simularium/tests/fixtures/crowding/simulation.simularium b/biosimulators_simularium/tests/fixtures/crowding/simulation.simularium deleted file mode 100644 index 23a3c49..0000000 --- a/biosimulators_simularium/tests/fixtures/crowding/simulation.simularium +++ /dev/null @@ -1 +0,0 @@ -{"trajectoryInfo": {"version": 3, "timeUnits": {"magnitude": 1.0, "name": "ms"}, "timeStepSize": 2.005, "totalSteps": 6, "spatialUnits": 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1.0, -12.04377445, -4.646423095000001, 2.0976187250000002, 0.0, 0.0, 0.0, 1.0, 0.0]}]}, "plotData": {"version": 1, "data": []}} \ No newline at end of file diff --git a/biosimulators_simularium/tests/run.py b/biosimulators_simularium/tests/run.py index 64a4b6e..0fc0c44 100644 --- a/biosimulators_simularium/tests/run.py +++ b/biosimulators_simularium/tests/run.py @@ -10,4 +10,4 @@ mol_output = generate_output(dir_fp=MIN_E_DIR) mesh = generate_interpolated_mesh(mol_output=mol_output) -print(mesh.point_normals) +print(dir(mesh))