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testsuite-analysis-calculate-bounding-box.at@ e23075

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Last change on this file since e23075 was f89b45, checked in by Frederik Heber <heber@…>, 14 years ago

Added Reaction CalculateBoundingBoxAction.

calculate bounding box via Box::getBoundingPlanes() of the current domain.
also added regression test Analysis/CalculateBoundingBox.

exporting std::vector<double> as return value.

had to add trick with exporting std::vector<double> to python with help from stackoverflow("does boost python support a function returning a vector, by ref or value?") answer. We construct a vec_item template class which exports getter/setter, append, ... functionality to python.
This ends in typedef doubleVec in namespace MoleCuilder::PythonTypes, while within the Reaction its just a typedef defined in the .def file.
this type had to be prefix with PythonType_ to make it distinguishable from the functions in dir(mol) for Python/AllActions regression test.
TESTFIX: Also we modified Python/AllActions regression test to go in a loop over each command, thus stdout and stderr can be uniquely associated to the very command that caused them. This makes debugging a lot easier ... for this purpose the dir(mol) and filtering was placed into new listcmds.py.

Property mode set to 100644

File size: 919 bytes

Rev	Line
[f89b45]	1	### calculate bounding box
	2
	3	AT_SETUP([Analysis - Calculate bounding box])
	4	AT_KEYWORDS([analysis reaction calculate-bounding-box])
	5
	6	# default domain
	7	AT_CHECK([../../molecuilder --calculate-bounding-box], 0, [stdout], [stderr])
	8	AT_CHECK([egrep "RESULT" stdout], 0, [ignore], [ignore])
	9	AT_CHECK([egrep "bounding box is .*0; 20; 0; 20; 0; 20" stdout], 0, [ignore], [ignore])
	10
	11	# specific box
	12	AT_CHECK([../../molecuilder -B "10,0,12,0,0,14" --calculate-bounding-box], 0, [stdout], [stderr])
	13	AT_CHECK([egrep "RESULT" stdout], 0, [ignore], [ignore])
	14	AT_CHECK([egrep "bounding box is .*0; 10; 0; 12; 0; 14" stdout], 0, [ignore], [ignore])
	15
	16	# special domain
	17	AT_CHECK([../../molecuilder -B "10,2,10,4,6,10" --calculate-bounding-box], 0, [stdout], [stderr])
	18	AT_CHECK([egrep "RESULT" stdout], 0, [ignore], [ignore])
	19	AT_CHECK([egrep "bounding box is .0; 7.660.; 0; 5.421.; 0; 4.755.;" stdout], 0, [ignore], [ignore])
	20
	21	AT_CLEANUP

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