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#!/usr/bin/python3
"""
Provides functions for verifying results from a test run
"""
import sys
from math import log10, floor
from apbs_logger import Logger
ERROR_TOLERANCE = 1e-4
def round_sigfigs(x, sigfigs):
"""
Rounds a number to a specified number of significant figures
"""
return round(x, sigfigs - int(floor(log10(abs(x)))) - 1)
def check_results(computed_result, expected_result, input_file, logger, ocd):
"""
Compares computed results to an expected results within some margin of error
"""
# OCD mode requires a match up to 12 significant figures
if ocd:
computed_result = round_sigfigs(computed_result, 12)
expected_result = round_sigfigs(expected_result, 12)
# Non-OCD mode only requires a match out to six significan figures
else:
computed_result = round_sigfigs(computed_result, 6)
expected_result = round_sigfigs(expected_result, 6)
# Compute the error in the calculation
error = abs((computed_result - expected_result)/expected_result*100.0)
# An exact match after rounding to specifiec precision means the test passed
if computed_result == expected_result:
logger.message("*** PASSED ***\n")
logger.log("PASSED %.12e\n" % computed_result)
# Otherwise, test that the error is below error tolerance
elif error < ERROR_TOLERANCE*100:
logger.message("*** PASSED (with rounding error - see log) ***\n")
logger.log("PASSED within error (%.12e; expected %.12e; %g%% error)\n" % (computed_result, expected_result, error))
# If neither is true, the test failed
else:
logger.message("*** FAILED ***\n")
logger.message(" APBS returned %.12e\n" % computed_result)
logger.message(" Expected result is %.12e (%g%% error)\n" % (expected_result, error))
logger.log("FAILED (%.12e; expected %.12e; %g%% error)\n" % (computed_result, expected_result, error))
if __name__ == '__main__':
sys.stderr.write("The python source file %s is a module and not runnable" % sys.argv[0])
sys.exit(1)
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