 borisk
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43ee6bba5d
Added four tests to the testsuite that cover several simultaneously run bimolecular and trimolecular reactions.
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12 年之前 |
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borisk
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b3c7c695cd
Refactored the code related to the unimolecular reactions bringing it in line with how we test for the bimolecular case. Added three more tests to the testsuite when multiple unimolecular reactions with different rates happen simultaneously (pure unimolecular and at the surface).
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12 年之前 |
 Boris Kaminsky
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f2e3005253
Together with Markus wrote a document 'Policy on surface product placement in reactions between surface molecules' and placed document in src/docs. Implemented this new policy. This policy: 1) generalizes how we replace static and non-static surface reactants when we have multiple static and non-static surface products, 2) establishes rules on surface products placement in the presence of restrictive region borders. Fixed bug that allowed duplicate surface classes in the list of wall's surface classes. Fixed bug that allowed multiple SURFACE_CLASS statements inside DEFINE_SURFACE_REGIONS definition. Created multiple new test cases in the testsuite.
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13 年之前 |
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Boris Kaminsky
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178760881c
Improved surface reactions code. Now surface reactants cannot look across restrictive (REFLECTIVE/ABSORPTIVE) region boundaries when searching for reaction partners. Implemented policy on the surface products placement that takes into account whether they have restrictive region boundary properties. Added corresponding tests to the testsuite.
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13 年之前 |
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Boris Kaminsky
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e6fb22be7c
Added tests for several keywords. Clarified QRG regarding use of ALL_ENCLOSED keyword and region element specifier commands. Improved syntax used for multiple region element specifier commands.
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13 年之前 |
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Boris Kaminsky
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24939a85ce
Removed keyword GENERIC_MOLECULE. Implemented instead three new keywords ALL_MOLECULES, ALL_VOLUME_MOLECULES, ALL_SURFACE_MOLECULES that should be used as part of the surface property command. E.g. ABSORPTIVE=ALL_MOLECULES has the meaning that all volume molecules are absorptive on the region walls and all surface molecules are absorptive on the region borders with declared surface class. The keywords ALL_VOLUME_MOLECULES and ALL_SURFACE_MOLECULES are self-explanatory. Added new tests covering new keywords.
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13 年之前 |
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Boris Kaminsky
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b3418157be
Added test for a combination of GENERIC_MOLECULE keyword with REFLECTIVE/TRANSPARENT/ABSORPTIVE properties of meshes.
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14 年之前 |
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Boris Kaminsky
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1972853c1e
Added new test for the region borders properties on the sphere. Now the tested region has a complex shape and intersects the sphere apex. Also tested HITS/CROSSINGS statements both in COUNT and TRIGGER forms.
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14 年之前 |
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Boris Kaminsky
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64201ebeca
Added new test for the region borders properties on the sphere. Now the tested region has a complex shape and intersects the sphere apex. Also tested HITS/CROSSINGS statements both in COUNT and TRIGGER forms.
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14 年之前 |
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Boris Kaminsky
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be2c68e45f
Added extra check in 'region_borders' test that tests a combination of unimolecular reaction with surface_class and REFLECTIVE region border. Also cleaned up from unused and commented lines '04-surface.mdl' test file.
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14 年之前 |
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Boris Kaminsky
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31e5592c70
Fixed bug that disabled unimolecular reactions involving surface classes. Cleaned up and improved code related to special reactions on the region borders. Added new test '04-surface.mdl' that deals with reactions that include surface classes. Changed policy for the reaction of the type A + B + surf_class -> ... [rate], where both A and B are surface molecules. Now we will require that both A and B reside on the walls belonging to the surface class 'surf_class'. Previously we require that only target molecule reside on the wall belonging to surface_class 'surf_class'.
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14 年之前 |
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Boris Kaminsky
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a4e0e30d8c
Added to the testsuite a test case for REFLECTIVE/ABSORPTIVE/TRANSPARENT properties of the region border.
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14 年之前 |
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Boris Kaminsky
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2b28939afd
Fixed bug related to the placement of surface molecules through SURFACE_CLASS statement
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14 年之前 |
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Boris Kaminsky
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d0e42d84d0
Changed reaction rate in the test file for VVV reaction including 2 TARGET_ONLY molecules. Changed equilibrium value and tolerances for this kind of reaction.
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14 年之前 |
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Boris Kaminsky
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59be74f91c
Fixed bugs related to the trimolecular reaction probabilities calculation when one or two reactanst are TARGET_ONLY. Made corresponding changes in the testsuite removing artificially big tolerances.
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14 年之前 |
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Boris Kaminsky
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9ab3b2d1d0
Added TARGET_ONLY specifications for selected molecules. Removed statements in multiple tests descriptions that are already present through McellTest constructor.
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14 年之前 |
 Jed Wing
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af74f8e6ca
Disabled a few surface reaction quantitative tests until we can figure out
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15 年之前 |
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Jed Wing
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edfa497d11
Added surface reactions tests, and an additional version of the volume
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16 年之前 |
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Jed Wing
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07155613dc
Added in quantitative test for volume reaction rates and equilibrium modified from integration tests I used when merging the macromolecules code with Boris' trimolecular reactions code.
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16 年之前 |
