-
Notifications
You must be signed in to change notification settings - Fork 70
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Models: Renames result properties objects
- Loading branch information
Daniel G. A. Smith
committed
Nov 8, 2019
1 parent
a060aba
commit 6d04fc7
Showing
17 changed files
with
67 additions
and
40 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -1,27 +1,27 @@ | ||
Result | ||
AtomicResult | ||
====== | ||
|
||
A Python implementation of the `MolSSI QCSchema | ||
<https://github.com/MolSSI/QCSchema>`_ ``Result`` object. | ||
<https://github.com/MolSSI/QCSchema>`_ ``AtomicResult`` object. | ||
|
||
|
||
ResultInput | ||
AtomicInput | ||
----------- | ||
|
||
.. autoclass:: qcelemental.models.ResultInput | ||
.. autoclass:: qcelemental.models.AtomicInput | ||
|
||
Result | ||
AtomicResult | ||
------ | ||
|
||
.. autoclass:: qcelemental.models.Result | ||
.. autoclass:: qcelemental.models.AtomicResult | ||
|
||
|
||
API | ||
--- | ||
|
||
.. autoclass:: qcelemental.models.results.ResultProtocols | ||
.. autoclass:: qcelemental.models.results.AtomicResultProtocols | ||
|
||
.. autoclass:: qcelemental.models.results.ResultProperties | ||
.. autoclass:: qcelemental.models.results.AtomicResultProperties | ||
|
||
.. autoclass:: qcelemental.models.results.WavefunctionProperties | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -6,7 +6,6 @@ | |
from typing import Any, Dict, Optional | ||
|
||
import numpy as np | ||
|
||
from pydantic import BaseModel, validator | ||
|
||
|
||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -1,5 +1,4 @@ | ||
import numpy as np | ||
|
||
from pydantic import validator | ||
|
||
from ..util import blockwise_contract, blockwise_expand | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters