From b1f8a1c3ca817ebadc6d571e78ebd4f3c0af6cb2 Mon Sep 17 00:00:00 2001 From: "spaceBearAmadeus (Alex)" Date: Mon, 19 Aug 2024 08:50:53 -0400 Subject: [PATCH] update --- bio_compose/_VERSION | 2 +- bio_compose/runner.py | 18 ++++++++ .../smoldyn/modelouttxt-simulation.simularium | 2 +- tests/tests.ipynb | 44 ++++++++++++++----- 4 files changed, 54 insertions(+), 12 deletions(-) diff --git a/bio_compose/_VERSION b/bio_compose/_VERSION index ee1372d..7179039 100644 --- a/bio_compose/_VERSION +++ b/bio_compose/_VERSION @@ -1 +1 @@ -0.2.2 +0.2.3 diff --git a/bio_compose/runner.py b/bio_compose/runner.py index ae157e7..0463963 100644 --- a/bio_compose/runner.py +++ b/bio_compose/runner.py @@ -56,6 +56,24 @@ def run_utc_simulation(self, sbml_filepath: str, start: int, end: int, steps: in headers = {'Content-Type': multidata.content_type} return self._execute_request(endpoint=endpoint, headers=headers, multidata=multidata, query_params=query_params) + + def generate_simularium_file(self, smoldyn_output_filepath: str, box_size: float, filename: str = None): + endpoint = self._format_endpoint(f'generate-simularium-file') + + # multipart + input_fp = (smoldyn_output_filepath.split('/')[-1], open(smoldyn_output_filepath, 'rb'), 'application/octet-stream') + encoder_fields = {'uploaded_file': input_fp} + multidata = MultipartEncoder(fields=encoder_fields) + + # query + query_params = {'box_size': str(box_size)} + if filename is not None: + query_params['filename'] = filename + + # headers + headers = {'Content-Type': multidata.content_type} + + return self._execute_request(endpoint=endpoint, headers=headers, multidata=multidata, query_params=query_params) diff --git a/tests/fixtures/smoldyn/modelouttxt-simulation.simularium b/tests/fixtures/smoldyn/modelouttxt-simulation.simularium index 0cbc5d8..d7dd92f 100644 --- a/tests/fixtures/smoldyn/modelouttxt-simulation.simularium +++ b/tests/fixtures/smoldyn/modelouttxt-simulation.simularium @@ -1 +1 @@ -{"trajectoryInfo": 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1000.0, 2017.0, 0.0, -6.9409, -5.161849, -5.172076, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2016.0, 0.0, -5.858064000000001, -5.296386, -4.597315, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2015.0, 0.0, -3.46495, -5.336259, -5.368356, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2014.0, 0.0, -3.06605, -5.135961, -5.207382, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2013.0, 0.0, -6.41025, -4.502707, -5.0519548, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2012.0, 0.0, -5.521102, -5.448998, -4.779998, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2011.0, 0.0, -5.156621, -4.658915, -5.365597, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2010.0, 0.0, -5.3642, -5.4297699999999995, -5.255533, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2009.0, 0.0, -4.519272, -4.913317, -5.492429, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2008.0, 0.0, -3.33373, -4.8646139999999995, -5.45161, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2007.0, 0.0, -6.82218, -4.828227, -4.658189, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2006.0, 0.0, -3.65091, -5.46859, -5.174422, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2005.0, 0.0, -4.461288, -4.805071, -5.460437, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2004.0, 0.0, -3.17573, -5.157736, -4.653838, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2003.0, 0.0, -5.86031, -5.0368305, -4.501358, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2002.0, 0.0, -4.413435, -5.43349, -5.249171, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2001.0, 0.0, -4.31137, -4.62759, -5.333632, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2000.0, 0.0, -3.44946, -4.528161, -5.157454, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1999.0, 0.0, -4.838768, -5.240112, -4.561427, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1998.0, 0.0, -6.04723, -4.9018333, -5.490269, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1997.0, 0.0, -4.9747168, -4.647238, -4.645657, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1996.0, 0.0, -5.721483, -4.602985, -5.303939, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1995.0, 0.0, -5.233463, -4.966537, -5.498879, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1994.0, 0.0, -5.130289, -5.167267, -5.471192, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1993.0, 0.0, -4.037745, -4.898005, -5.4894870000000004, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1992.0, 0.0, -6.390750000000001, -4.563378, -4.756358, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1991.0, 0.0, -6.32204, -4.535442, -4.815105, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1990.0, 0.0, -4.511789, -4.9055079, -5.49099, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1989.0, 0.0, -6.2362400000000004, -5.0193585, -4.500375, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1988.0, 0.0, -4.010049, -5.496461, -4.9406122, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1987.0, 0.0, -6.47442, -5.0995654, -5.489986, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1986.0, 0.0, -6.47667, -4.501817, -4.9574155, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1985.0, 0.0, -4.4834320000000005, -5.45335, -5.210888, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1984.0, 0.0, -4.04211, -5.302277, -4.601718, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1983.0, 0.0, -6.91969, -5.117023, -4.754338, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1982.0, 0.0, -5.569199, -4.561138, -4.760416, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1981.0, 0.0, -6.92024, -5.0475579, -5.267056, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1980.0, 0.0, -5.678378, -4.81116, -4.537032, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1979.0, 0.0, -6.8121100000000006, -4.768802, -4.684927, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1978.0, 0.0, -3.41015, -4.804516, -4.548698, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1977.0, 0.0, -3.52902, -4.622659, -4.671955, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1976.0, 0.0, -3.8991100000000003, -4.619116, -4.676075, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1975.0, 0.0, -3.39468, -5.455786, -5.176407, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1974.0, 0.0, -4.337153, -4.538821, -4.806833, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1973.0, 0.0, -5.363711, -5.2781839999999995, -5.415468, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1972.0, 0.0, -4.7072080000000005, -4.818395, -4.534146, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1971.0, 0.0, -4.147006, -4.504415, -5.0663014, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1970.0, 0.0, -5.0873999, -5.407291, -5.290025, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1969.0, 0.0, -3.50092, -5.00771692, -5.49994, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1968.0, 0.0, -6.06417, -4.547004, -5.211647, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1967.0, 0.0, -5.192683, -4.855902, -4.521214, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1966.0, 0.0, -4.576393, -5.468617, -4.825648, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1965.0, 0.0, -6.3846, -5.498756, -4.9647533, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1964.0, 0.0, -6.59273, -4.566319, -5.231005, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1963.0, 0.0, -5.1597290000000005, -5.440796, -5.236006, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1962.0, 0.0, -5.11417, -5.473259, -4.838673, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1961.0, 0.0, -4.492281, -5.324938, -4.61998, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1960.0, 0.0, -6.70071, -4.594589, -5.213182, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1959.0, 0.0, -5.793655, -4.535173, -5.184217, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1958.0, 0.0, -6.22136, -4.564745, -5.246076, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1957.0, 0.0, -3.52281, -5.30422, -5.3968, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1956.0, 0.0, -6.54863, -5.401255, -5.294365, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1955.0, 0.0, -6.31444, -4.559698, -5.236927, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1954.0, 0.0, -6.23487, -5.493747, -4.9211693, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1953.0, 0.0, -6.7169, -4.812067, -4.590452, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1952.0, 0.0, -5.648506, -5.32345, -4.618713, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1951.0, 0.0, -4.635509, -5.389785, -4.686843, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1950.0, 0.0, -4.832738, -5.3346350000000005, -5.371509, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1949.0, 0.0, -3.0784000000000002, -5.101044, -4.751291, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1948.0, 0.0, -4.153372, -4.605426, -5.307101, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1947.0, 0.0, -4.6862390000000005, -5.0469921, -4.502213, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1946.0, 0.0, -6.63426, -5.427951, -5.221112, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1945.0, 0.0, -5.920691, -5.316941, -5.386715, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1944.0, 0.0, -4.409833, -5.405725, -5.292211, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1943.0, 0.0, -5.789925, -4.667689, -5.37359, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1942.0, 0.0, -4.239599, -5.485394, -5.11997, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1941.0, 0.0, -6.04003, -5.0597425, -5.496418, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1940.0, 0.0, -3.54744, -5.459467, -4.8027940000000005, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1939.0, 0.0, -6.35502, -4.559637, -4.763187, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1938.0, 0.0, -5.827136, -4.63197, -4.661542, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1937.0, 0.0, -4.054349, -4.605282, -4.693083, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1936.0, 0.0, -3.12021, -4.825203, -5.273927, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1935.0, 0.0, -3.48088, -5.374236, -5.331019, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1934.0, 0.0, -3.55748, -5.459412, -5.197334, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1933.0, 0.0, -4.170146, -5.102301, -5.489423, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1932.0, 0.0, -5.7140640000000005, -5.104215, -5.489019, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1931.0, 0.0, -6.90825, -4.768893, -4.826493, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1930.0, 0.0, -6.06837, -5.0615928, -5.496192, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1929.0, 0.0, -5.669387, -4.896334, -5.489135, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1928.0, 0.0, -6.52226, -4.741596, -5.427483, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1927.0, 0.0, -3.67873, -5.402936, -5.296045, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1926.0, 0.0, -3.39138, -5.4202770000000005, -4.751966, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1925.0, 0.0, -4.194486, -5.497638, -4.951458, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1924.0, 0.0, -3.56152, -5.45432, -5.208789, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1923.0, 0.0, -5.429145, -5.365254, -4.658548, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1922.0, 0.0, -6.27965, -4.628302, -5.334426, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1921.0, 0.0, -3.82966, -4.576616, -4.734019, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1920.0, 0.0, -6.87674, -5.18959, -4.73114, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1919.0, 0.0, -4.509135000000001, -5.497974, -5.0449703, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1918.0, 0.0, -3.28083, -5.0206667, -4.551177, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1917.0, 0.0, -4.466057, -4.724422, -4.582799, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1916.0, 0.0, -5.616651, -4.504322, -4.9343978, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1915.0, 0.0, -3.54336, -5.281424, -4.58672, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1914.0, 0.0, -6.08301, -5.293492, -5.404799, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1913.0, 0.0, -4.005202000000001, -4.724526, -5.41727, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1912.0, 0.0, -5.515562, -4.501103, -5.0331877, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1911.0, 0.0, -5.226215, -5.415502, -5.278133, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1910.0, 0.0, -6.87445, -4.689536, -4.883519, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1909.0, 0.0, -6.97129, -4.879092, -4.883912, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1908.0, 0.0, -6.42898, -5.416639, -5.276427, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1907.0, 0.0, -4.118561, -5.202181, -4.5427, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1906.0, 0.0, -4.0751290000000004, -4.656208, -4.636947, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1905.0, 0.0, -5.705475, -5.13193, -5.482281, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1904.0, 0.0, -6.2201, -5.424643, -4.736034, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1903.0, 0.0, -3.8044700000000002, -4.519033, -5.136642, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1902.0, 0.0, -5.290281, -5.447412, -4.77679, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1901.0, 0.0, -4.556089, -5.477702, -5.147652, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1900.0, 0.0, -5.42717, -5.382574, -5.321927, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1899.0, 0.0, -5.20429, -5.486328, -5.116124, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1898.0, 0.0, -4.528335, -4.800398, -4.541569, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1897.0, 0.0, -6.03289, -5.0757489, -5.494229, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1896.0, 0.0, -3.88939, -5.437259, -5.242497, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1895.0, 0.0, -3.5384700000000002, -5.456871, -5.203148, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1894.0, 0.0, -5.1365490000000005, -4.875564, -5.484268, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 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-5.431913, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2046.0, 0.0, -4.277418, -5.478701, -5.144378, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2045.0, 0.0, -6.59882, -4.777811, -5.436949, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2044.0, 0.0, -6.3588000000000005, -5.495311, -4.9316819, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2043.0, 0.0, -5.871669, -4.567892, -4.74844, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2042.0, 0.0, -6.339510000000001, -5.465406, -5.182749, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2041.0, 0.0, -5.178219, -5.149947, -4.523014, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2040.0, 0.0, -6.35423, -5.278074, -4.584458, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2039.0, 0.0, -3.25099, -4.944564, -5.429858, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2038.0, 0.0, -6.99082, -5.0545721, -4.9199971, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2037.0, 0.0, -3.68556, -5.471508, -5.166375, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2036.0, 0.0, -4.348134, -5.456926, -5.203024, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2035.0, 0.0, -4.882679, -4.710603, -5.407737, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2034.0, 0.0, -5.0822039000000006, -4.500021, -4.99542699, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2033.0, 0.0, -6.00786, -4.933633, -5.495576, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2032.0, 0.0, -4.735733, -4.53064, -5.172341, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2031.0, 0.0, -4.167304, -4.670971, -4.623517, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2030.0, 0.0, -4.775512, -4.691083, -5.393154, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2029.0, 0.0, -3.86454, -5.130508, -5.482667, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2028.0, 0.0, -3.56062, -4.9329188, -5.49548, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2027.0, 0.0, -4.717475, -5.499462, -4.9768196, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2026.0, 0.0, -5.592602, -5.219861, -5.449067, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2025.0, 0.0, -4.671109, -5.13357, -5.481829, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2024.0, 0.0, -3.4127, -5.362045, -4.666455, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2023.0, 0.0, -5.595958, -4.50262, -4.9488824, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2022.0, 0.0, -6.34379, -5.374729, -5.331026, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2021.0, 0.0, -5.506521, -4.66268, -4.630927, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2020.0, 0.0, -4.379799, -4.843332, -5.474821, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2019.0, 0.0, -5.881106, -4.592163, -5.289256, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2018.0, 0.0, -3.8193900000000003, -4.534923, -4.816416, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2017.0, 0.0, -6.94097, -5.161849, -5.172076, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2016.0, 0.0, -5.858134, -5.296386, -4.597315, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2015.0, 0.0, -3.46502, -5.336259, -5.368356, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2014.0, 0.0, -3.06612, -5.135961, -5.207382, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2013.0, 0.0, -6.4103200000000005, -4.502707, -5.0519548, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2012.0, 0.0, -5.521172, -5.448998, -4.779998, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2011.0, 0.0, -5.156691, -4.658915, -5.365597, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2010.0, 0.0, -5.36427, -5.4297699999999995, -5.255533, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2009.0, 0.0, -4.519342, -4.913317, -5.492429, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2008.0, 0.0, -3.3338, -4.8646139999999995, -5.45161, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2007.0, 0.0, -6.82225, -4.828227, -4.658189, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2006.0, 0.0, -3.65098, -5.46859, -5.174422, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2005.0, 0.0, -4.461358000000001, -4.805071, -5.460437, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2004.0, 0.0, -3.1758, -5.157736, -4.653838, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2003.0, 0.0, -5.86038, -5.0368305, -4.501358, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2002.0, 0.0, -4.413505, -5.43349, -5.249171, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2001.0, 0.0, -4.31144, -4.62759, -5.333632, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 2000.0, 0.0, -3.44953, -4.528161, -5.157454, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1999.0, 0.0, -4.838838, -5.240112, -4.561427, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1998.0, 0.0, -6.0473, -4.9018333, -5.490269, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1997.0, 0.0, -4.9747868, -4.647238, -4.645657, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1996.0, 0.0, -5.721553, -4.602985, -5.303939, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1995.0, 0.0, -5.233533, -4.966537, -5.498879, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1994.0, 0.0, -5.130359, -5.167267, -5.471192, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1993.0, 0.0, -4.037815, -4.898005, -5.4894870000000004, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1992.0, 0.0, -6.39082, -4.563378, -4.756358, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1991.0, 0.0, -6.32211, -4.535442, -4.815105, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1990.0, 0.0, -4.511859, -4.9055079, -5.49099, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1989.0, 0.0, -6.23631, -5.0193585, -4.500375, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1988.0, 0.0, -4.010119, -5.496461, -4.9406122, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1987.0, 0.0, -6.47449, -5.0995654, -5.489986, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1986.0, 0.0, -6.47674, -4.501817, -4.9574155, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1985.0, 0.0, -4.483502, -5.45335, -5.210888, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1984.0, 0.0, -4.04218, -5.302277, -4.601718, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1983.0, 0.0, -6.91976, -5.117023, -4.754338, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1982.0, 0.0, -5.569269, -4.561138, -4.760416, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1981.0, 0.0, -6.920310000000001, -5.0475579, -5.267056, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1980.0, 0.0, -5.678448, -4.81116, -4.537032, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1979.0, 0.0, -6.81218, -4.768802, -4.684927, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1978.0, 0.0, -3.41022, -4.804516, -4.548698, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1977.0, 0.0, -3.52909, -4.622659, -4.671955, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1976.0, 0.0, -3.8991800000000003, -4.619116, -4.676075, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1975.0, 0.0, -3.39475, -5.455786, -5.176407, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1974.0, 0.0, -4.337223, -4.538821, -4.806833, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1973.0, 0.0, -5.363781, -5.2781839999999995, -5.415468, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1972.0, 0.0, -4.7072780000000005, -4.818395, -4.534146, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1971.0, 0.0, -4.147076, -4.504415, -5.0663014, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1970.0, 0.0, -5.0874699, -5.407291, -5.290025, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1969.0, 0.0, -3.50099, -5.00771692, -5.49994, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1968.0, 0.0, -6.06424, -4.547004, -5.211647, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1967.0, 0.0, -5.192753, -4.855902, -4.521214, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1966.0, 0.0, -4.576463, -5.468617, -4.825648, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1965.0, 0.0, -6.38467, -5.498756, -4.9647533, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1964.0, 0.0, -6.5928, -4.566319, -5.231005, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1963.0, 0.0, -5.1597990000000005, -5.440796, -5.236006, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1962.0, 0.0, -5.114240000000001, -5.473259, -4.838673, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1961.0, 0.0, -4.492351, -5.324938, -4.61998, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1960.0, 0.0, -6.70078, -4.594589, -5.213182, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1959.0, 0.0, -5.793725, -4.535173, -5.184217, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1958.0, 0.0, -6.22143, -4.564745, -5.246076, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1957.0, 0.0, -3.5228800000000002, -5.30422, -5.3968, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1956.0, 0.0, -6.5487, -5.401255, -5.294365, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1955.0, 0.0, -6.31451, -4.559698, -5.236927, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1954.0, 0.0, -6.23494, -5.493747, -4.9211693, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1953.0, 0.0, -6.71697, -4.812067, -4.590452, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1952.0, 0.0, -5.648576, -5.32345, -4.618713, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1951.0, 0.0, -4.635579, -5.389785, -4.686843, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1950.0, 0.0, -4.832808, -5.3346350000000005, -5.371509, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1949.0, 0.0, -3.0784700000000003, -5.101044, -4.751291, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1948.0, 0.0, -4.153442, -4.605426, -5.307101, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1947.0, 0.0, -4.6863090000000005, -5.0469921, -4.502213, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1946.0, 0.0, -6.63433, -5.427951, -5.221112, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1945.0, 0.0, -5.920761000000001, -5.316941, -5.386715, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1944.0, 0.0, -4.409903, -5.405725, -5.292211, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1943.0, 0.0, -5.789995, -4.667689, -5.37359, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1942.0, 0.0, -4.239669, -5.485394, -5.11997, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1941.0, 0.0, -6.0401, -5.0597425, -5.496418, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1940.0, 0.0, -3.54751, -5.459467, -4.8027940000000005, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1939.0, 0.0, -6.355090000000001, -4.559637, -4.763187, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1938.0, 0.0, -5.827206, -4.63197, -4.661542, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1937.0, 0.0, -4.054419, -4.605282, -4.693083, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1936.0, 0.0, -3.12028, -4.825203, -5.273927, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1935.0, 0.0, -3.48095, -5.374236, -5.331019, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1934.0, 0.0, -3.55755, -5.459412, -5.197334, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1933.0, 0.0, -4.170216, -5.102301, -5.489423, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1932.0, 0.0, -5.7141340000000005, -5.104215, -5.489019, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1931.0, 0.0, -6.90832, -4.768893, -4.826493, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1930.0, 0.0, -6.06844, -5.0615928, -5.496192, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1929.0, 0.0, -5.669457, -4.896334, -5.489135, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1928.0, 0.0, -6.52233, -4.741596, -5.427483, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1927.0, 0.0, -3.6788, -5.402936, -5.296045, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1926.0, 0.0, -3.39145, -5.4202770000000005, -4.751966, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1925.0, 0.0, -4.194556, -5.497638, -4.951458, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1924.0, 0.0, -3.56159, -5.45432, -5.208789, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 1923.0, 0.0, -5.429215, -5.365254, -4.658548, 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-4.625667, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 10298.0, 4.0, -4.62315, -5.499896, -4.9898126, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 10340.0, 4.0, -5.366823, -5.495712, -5.0653453, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 10346.0, 4.0, -6.53625, -5.0993287, -4.511287, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 10383.0, 4.0, -6.30581, -5.248091, -5.434109, 0.0, 0.0, 0.0, 1.0, 0.0, 1000.0, 10381.0, 4.0, -5.245935, -5.4758890000000005, -4.846606, 0.0, 0.0, 0.0, 1.0, 0.0]}]}, "plotData": {"version": 1, "data": []}} \ No newline at end of file diff --git a/tests/tests.ipynb b/tests/tests.ipynb index efd4c2c..1815c9d 100644 --- a/tests/tests.ipynb +++ b/tests/tests.ipynb @@ -2,7 +2,7 @@ "cells": [ { "cell_type": "code", - "execution_count": 3, + "execution_count": 1, "metadata": {}, "outputs": [], "source": [ @@ -11,7 +11,7 @@ }, { "cell_type": "code", - "execution_count": 4, + "execution_count": 2, "metadata": {}, "outputs": [ { @@ -28,18 +28,44 @@ }, { "cell_type": "code", - "execution_count": 9, + "execution_count": 3, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "{'status': 'PENDING',\n", + " 'job_id': 'files-generate-simularium-file75d8bdc8-0bca-4dd4-8983-561a178fecf4',\n", + " 'timestamp': '2024-08-19 12:49:43.291403',\n", + " 'path': 'file_uploads/files-generate-simularium-file75d8bdc8-0bca-4dd4-8983-561a178fecf4/modelout.txt',\n", + " 'filename': 'simulation',\n", + " 'box_size': 10.0,\n", + " 'translate_output': True,\n", + " 'validate_output': True,\n", + " 'agent_parameters': {}}" + ] + }, + "execution_count": 3, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "simularium_job = runner.generate_simularium_file(smoldyn_output_filepath='./fixtures/smoldyn/modelout.txt', box_size=10.0)" + ] + }, + { + "cell_type": "code", + "execution_count": 4, "metadata": {}, "outputs": [], "source": [ - "smoldyn_job_id = 'simulation-execution-smoldyn5624b470-ce90-4144-849c-8da896ab1147'\n", - "\n", - "output = runner.get_output(job_id=smoldyn_job_id, download_dest='./fixtures/smoldyn')" + "simularium_job_id = simularium_job['job_id']" ] }, { "cell_type": "code", - "execution_count": 12, + "execution_count": 5, "metadata": {}, "outputs": [ { @@ -48,7 +74,7 @@ "True" ] }, - "execution_count": 12, + "execution_count": 5, "metadata": {}, "output_type": "execute_result" } @@ -56,8 +82,6 @@ "source": [ "import os\n", "\n", - "\n", - "simularium_job_id = 'files-generate-simularium-filee58f06f8-98f3-403e-afc2-e34cb86f4151'\n", "simularium_output = runner.get_output(job_id=simularium_job_id, download_dest='./fixtures/smoldyn')\n", "\n", "os.path.exists(simularium_output['results_file'])"