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RTC#4

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Okonce merged 3 commits intoOkonce:masterfrom
cimm-kzn:master
Jan 30, 2019
Merged

RTC#4
Okonce merged 3 commits intoOkonce:masterfrom
cimm-kzn:master

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@Okonce Okonce commented Jan 30, 2019

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Okonce and others added 3 commits January 28, 2019 21:11
* add bounding box

* in bounding box add __all__ = [Box]
in __init__.py add some sequences about license

* add reaction type control
in init add import reaction type control

* add reaction type control
in init add import reaction type control

* deleted extra line, comments not porusski. removed oddities in RTC

* Delete bounding_box

Deleted bounding_box from commit and made PEP formatting

* Adjust reaction_type_control

Renamed method __read. Now this method is called __magic.
Corrected license, redid the method __read. Now its just for one reaction and without loop. therefore corrected fit and predict functions.

* Get better reaction_type_control

Changed the name of the magic function. In this function, the parameter is called structure instead of X. Changed the year 2019 to 2018. get_center_atoms () is obsolete now just center_atoms (). made train_signatures less accessible. I checked the model for what it zafitilas.

* Get better reaction_type_control

added dtype in iter2

* Get better reaction_type_control

changed comment get subgraph =///
@Okonce Okonce merged commit 0732c06 into Okonce:master Jan 30, 2019
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