Fixed implementation of mass and volume fractions SimpleMixture.

choderalab / itctools

Tools for setting up ITC experiments in an automated fashion using the Tecan EVO and Auto-iTC 200.

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Fixed implementation of mass and volume fractions SimpleMixture. #24

Closed bas-rustenburg closed 9 years ago

bas-rustenburg commented 9 years ago

See #23.

bas-rustenburg commented 9 years ago

Note that the nosetest are not yet in place for this PR. However, I will have to update the test in #22 before it would pass since I added an extra attribute (molar volumes).

coveralls commented 9 years ago

Coverage remained the same when pulling 1fe5e80c850fce18eabe20ece8b4ca86687028f9 on bas-rustenburg:fix_mixture into 4ffa8d6fa6e9a4a032f98bd5bb31dde2fd4f8202 on choderalab:master.

bas-rustenburg commented 9 years ago

Did a quick offline test. With a minor modification to the test, it should pass now. Should be good for merging. @jchodera, could you double check the equations to make sure I implemented them right this time?