huaweicloudsdkeihealth 3.1.160__py3-none-any.whl

huaweicloudsdkeihealth/v1/model/optimization_result.py

@@ -0,0 +1,484 @@
+# coding: utf-8
+
+import six
+
+from huaweicloudsdkcore.utils.http_utils import sanitize_for_serialization
+
+
+class OptimizationResult:
+
+    """
+    Attributes:
+      openapi_types (dict): The key is attribute name
+                            and the value is attribute type.
+      attribute_map (dict): The key is attribute name
+                            and the value is json key in definition.
+    """
+    sensitive_list = []
+
+    openapi_types = {
+        'name': 'str',
+        'smiles': 'str',
+        'num_rounds': 'int',
+        'num_trials_per_round': 'int',
+        'num_expected': 'int',
+        'num_strong_constraints': 'int',
+        'num_weak_constraints': 'int',
+        'prop_names': 'list[str]',
+        'original': 'PlainMoleculeItem',
+        'result': 'list[OptimizationResultItem]',
+        'strong_constraints': 'list[MoleculeConstraint]',
+        'weak_constraints': 'list[MoleculeConstraint]',
+        'binding_site': 'BindingSite',
+        'custom_props': 'list[CustomProp]'
+    }
+
+    attribute_map = {
+        'name': 'name',
+        'smiles': 'smiles',
+        'num_rounds': 'num_rounds',
+        'num_trials_per_round': 'num_trials_per_round',
+        'num_expected': 'num_expected',
+        'num_strong_constraints': 'num_strong_constraints',
+        'num_weak_constraints': 'num_weak_constraints',
+        'prop_names': 'prop_names',
+        'original': 'original',
+        'result': 'result',
+        'strong_constraints': 'strong_constraints',
+        'weak_constraints': 'weak_constraints',
+        'binding_site': 'binding_site',
+        'custom_props': 'custom_props'
+    }
+
+    def __init__(self, name=None, smiles=None, num_rounds=None, num_trials_per_round=None, num_expected=None, num_strong_constraints=None, num_weak_constraints=None, prop_names=None, original=None, result=None, strong_constraints=None, weak_constraints=None, binding_site=None, custom_props=None):
+        r"""OptimizationResult
+
+        The model defined in huaweicloud sdk
+
+        :param name: 任务名
+        :type name: str
+        :param smiles: 分子SMILES表达式
+        :type smiles: str
+        :param num_rounds: 总生成轮数
+        :type num_rounds: int
+        :param num_trials_per_round: 每轮生成数量
+        :type num_trials_per_round: int
+        :param num_expected: 期望条目数
+        :type num_expected: int
+        :param num_strong_constraints: 强约束数量
+        :type num_strong_constraints: int
+        :param num_weak_constraints: 弱约束数量
+        :type num_weak_constraints: int
+        :param prop_names: 分子ADMET属性名列表
+        :type prop_names: list[str]
+        :param original: 
+        :type original: :class:`huaweicloudsdkeihealth.v1.PlainMoleculeItem`
+        :param result: 分子优化结果条目
+        :type result: list[:class:`huaweicloudsdkeihealth.v1.OptimizationResultItem`]
+        :param strong_constraints: 强约束集合
+        :type strong_constraints: list[:class:`huaweicloudsdkeihealth.v1.MoleculeConstraint`]
+        :param weak_constraints: 弱约束集合
+        :type weak_constraints: list[:class:`huaweicloudsdkeihealth.v1.MoleculeConstraint`]
+        :param binding_site: 
+        :type binding_site: :class:`huaweicloudsdkeihealth.v1.BindingSite`
+        :param custom_props: 用户已开启的自定义属性集合
+        :type custom_props: list[:class:`huaweicloudsdkeihealth.v1.CustomProp`]
+        """
+        
+        
+
+        self._name = None
+        self._smiles = None
+        self._num_rounds = None
+        self._num_trials_per_round = None
+        self._num_expected = None
+        self._num_strong_constraints = None
+        self._num_weak_constraints = None
+        self._prop_names = None
+        self._original = None
+        self._result = None
+        self._strong_constraints = None
+        self._weak_constraints = None
+        self._binding_site = None
+        self._custom_props = None
+        self.discriminator = None
+
+        if name is not None:
+            self.name = name
+        if smiles is not None:
+            self.smiles = smiles
+        if num_rounds is not None:
+            self.num_rounds = num_rounds
+        if num_trials_per_round is not None:
+            self.num_trials_per_round = num_trials_per_round
+        if num_expected is not None:
+            self.num_expected = num_expected
+        if num_strong_constraints is not None:
+            self.num_strong_constraints = num_strong_constraints
+        if num_weak_constraints is not None:
+            self.num_weak_constraints = num_weak_constraints
+        if prop_names is not None:
+            self.prop_names = prop_names
+        if original is not None:
+            self.original = original
+        if result is not None:
+            self.result = result
+        if strong_constraints is not None:
+            self.strong_constraints = strong_constraints
+        if weak_constraints is not None:
+            self.weak_constraints = weak_constraints
+        if binding_site is not None:
+            self.binding_site = binding_site
+        if custom_props is not None:
+            self.custom_props = custom_props
+
+    @property
+    def name(self):
+        r"""Gets the name of this OptimizationResult.
+
+        任务名
+
+        :return: The name of this OptimizationResult.
+        :rtype: str
+        """
+        return self._name
+
+    @name.setter
+    def name(self, name):
+        r"""Sets the name of this OptimizationResult.
+
+        任务名
+
+        :param name: The name of this OptimizationResult.
+        :type name: str
+        """
+        self._name = name
+
+    @property
+    def smiles(self):
+        r"""Gets the smiles of this OptimizationResult.
+
+        分子SMILES表达式
+
+        :return: The smiles of this OptimizationResult.
+        :rtype: str
+        """
+        return self._smiles
+
+    @smiles.setter
+    def smiles(self, smiles):
+        r"""Sets the smiles of this OptimizationResult.
+
+        分子SMILES表达式
+
+        :param smiles: The smiles of this OptimizationResult.
+        :type smiles: str
+        """
+        self._smiles = smiles
+
+    @property
+    def num_rounds(self):
+        r"""Gets the num_rounds of this OptimizationResult.
+
+        总生成轮数
+
+        :return: The num_rounds of this OptimizationResult.
+        :rtype: int
+        """
+        return self._num_rounds
+
+    @num_rounds.setter
+    def num_rounds(self, num_rounds):
+        r"""Sets the num_rounds of this OptimizationResult.
+
+        总生成轮数
+
+        :param num_rounds: The num_rounds of this OptimizationResult.
+        :type num_rounds: int
+        """
+        self._num_rounds = num_rounds
+
+    @property
+    def num_trials_per_round(self):
+        r"""Gets the num_trials_per_round of this OptimizationResult.
+
+        每轮生成数量
+
+        :return: The num_trials_per_round of this OptimizationResult.
+        :rtype: int
+        """
+        return self._num_trials_per_round
+
+    @num_trials_per_round.setter
+    def num_trials_per_round(self, num_trials_per_round):
+        r"""Sets the num_trials_per_round of this OptimizationResult.
+
+        每轮生成数量
+
+        :param num_trials_per_round: The num_trials_per_round of this OptimizationResult.
+        :type num_trials_per_round: int
+        """
+        self._num_trials_per_round = num_trials_per_round
+
+    @property
+    def num_expected(self):
+        r"""Gets the num_expected of this OptimizationResult.
+
+        期望条目数
+
+        :return: The num_expected of this OptimizationResult.
+        :rtype: int
+        """
+        return self._num_expected
+
+    @num_expected.setter
+    def num_expected(self, num_expected):
+        r"""Sets the num_expected of this OptimizationResult.
+
+        期望条目数
+
+        :param num_expected: The num_expected of this OptimizationResult.
+        :type num_expected: int
+        """
+        self._num_expected = num_expected
+
+    @property
+    def num_strong_constraints(self):
+        r"""Gets the num_strong_constraints of this OptimizationResult.
+
+        强约束数量
+
+        :return: The num_strong_constraints of this OptimizationResult.
+        :rtype: int
+        """
+        return self._num_strong_constraints
+
+    @num_strong_constraints.setter
+    def num_strong_constraints(self, num_strong_constraints):
+        r"""Sets the num_strong_constraints of this OptimizationResult.
+
+        强约束数量
+
+        :param num_strong_constraints: The num_strong_constraints of this OptimizationResult.
+        :type num_strong_constraints: int
+        """
+        self._num_strong_constraints = num_strong_constraints
+
+    @property
+    def num_weak_constraints(self):
+        r"""Gets the num_weak_constraints of this OptimizationResult.
+
+        弱约束数量
+
+        :return: The num_weak_constraints of this OptimizationResult.
+        :rtype: int
+        """
+        return self._num_weak_constraints
+
+    @num_weak_constraints.setter
+    def num_weak_constraints(self, num_weak_constraints):
+        r"""Sets the num_weak_constraints of this OptimizationResult.
+
+        弱约束数量
+
+        :param num_weak_constraints: The num_weak_constraints of this OptimizationResult.
+        :type num_weak_constraints: int
+        """
+        self._num_weak_constraints = num_weak_constraints
+
+    @property
+    def prop_names(self):
+        r"""Gets the prop_names of this OptimizationResult.
+
+        分子ADMET属性名列表
+
+        :return: The prop_names of this OptimizationResult.
+        :rtype: list[str]
+        """
+        return self._prop_names
+
+    @prop_names.setter
+    def prop_names(self, prop_names):
+        r"""Sets the prop_names of this OptimizationResult.
+
+        分子ADMET属性名列表
+
+        :param prop_names: The prop_names of this OptimizationResult.
+        :type prop_names: list[str]
+        """
+        self._prop_names = prop_names
+
+    @property
+    def original(self):
+        r"""Gets the original of this OptimizationResult.
+
+        :return: The original of this OptimizationResult.
+        :rtype: :class:`huaweicloudsdkeihealth.v1.PlainMoleculeItem`
+        """
+        return self._original
+
+    @original.setter
+    def original(self, original):
+        r"""Sets the original of this OptimizationResult.
+
+        :param original: The original of this OptimizationResult.
+        :type original: :class:`huaweicloudsdkeihealth.v1.PlainMoleculeItem`
+        """
+        self._original = original
+
+    @property
+    def result(self):
+        r"""Gets the result of this OptimizationResult.
+
+        分子优化结果条目
+
+        :return: The result of this OptimizationResult.
+        :rtype: list[:class:`huaweicloudsdkeihealth.v1.OptimizationResultItem`]
+        """
+        return self._result
+
+    @result.setter
+    def result(self, result):
+        r"""Sets the result of this OptimizationResult.
+
+        分子优化结果条目
+
+        :param result: The result of this OptimizationResult.
+        :type result: list[:class:`huaweicloudsdkeihealth.v1.OptimizationResultItem`]
+        """
+        self._result = result
+
+    @property
+    def strong_constraints(self):
+        r"""Gets the strong_constraints of this OptimizationResult.
+
+        强约束集合
+
+        :return: The strong_constraints of this OptimizationResult.
+        :rtype: list[:class:`huaweicloudsdkeihealth.v1.MoleculeConstraint`]
+        """
+        return self._strong_constraints
+
+    @strong_constraints.setter
+    def strong_constraints(self, strong_constraints):
+        r"""Sets the strong_constraints of this OptimizationResult.
+
+        强约束集合
+
+        :param strong_constraints: The strong_constraints of this OptimizationResult.
+        :type strong_constraints: list[:class:`huaweicloudsdkeihealth.v1.MoleculeConstraint`]
+        """
+        self._strong_constraints = strong_constraints
+
+    @property
+    def weak_constraints(self):
+        r"""Gets the weak_constraints of this OptimizationResult.
+
+        弱约束集合
+
+        :return: The weak_constraints of this OptimizationResult.
+        :rtype: list[:class:`huaweicloudsdkeihealth.v1.MoleculeConstraint`]
+        """
+        return self._weak_constraints
+
+    @weak_constraints.setter
+    def weak_constraints(self, weak_constraints):
+        r"""Sets the weak_constraints of this OptimizationResult.
+
+        弱约束集合
+
+        :param weak_constraints: The weak_constraints of this OptimizationResult.
+        :type weak_constraints: list[:class:`huaweicloudsdkeihealth.v1.MoleculeConstraint`]
+        """
+        self._weak_constraints = weak_constraints
+
+    @property
+    def binding_site(self):
+        r"""Gets the binding_site of this OptimizationResult.
+
+        :return: The binding_site of this OptimizationResult.
+        :rtype: :class:`huaweicloudsdkeihealth.v1.BindingSite`
+        """
+        return self._binding_site
+
+    @binding_site.setter
+    def binding_site(self, binding_site):
+        r"""Sets the binding_site of this OptimizationResult.
+
+        :param binding_site: The binding_site of this OptimizationResult.
+        :type binding_site: :class:`huaweicloudsdkeihealth.v1.BindingSite`
+        """
+        self._binding_site = binding_site
+
+    @property
+    def custom_props(self):
+        r"""Gets the custom_props of this OptimizationResult.
+
+        用户已开启的自定义属性集合
+
+        :return: The custom_props of this OptimizationResult.
+        :rtype: list[:class:`huaweicloudsdkeihealth.v1.CustomProp`]
+        """
+        return self._custom_props
+
+    @custom_props.setter
+    def custom_props(self, custom_props):
+        r"""Sets the custom_props of this OptimizationResult.
+
+        用户已开启的自定义属性集合
+
+        :param custom_props: The custom_props of this OptimizationResult.
+        :type custom_props: list[:class:`huaweicloudsdkeihealth.v1.CustomProp`]
+        """
+        self._custom_props = custom_props
+
+    def to_dict(self):
+        """Returns the model properties as a dict"""
+        result = {}
+
+        for attr, _ in six.iteritems(self.openapi_types):
+            value = getattr(self, attr)
+            if isinstance(value, list):
+                result[attr] = list(map(
+                    lambda x: x.to_dict() if hasattr(x, "to_dict") else x,
+                    value
+                ))
+            elif hasattr(value, "to_dict"):
+                result[attr] = value.to_dict()
+            elif isinstance(value, dict):
+                result[attr] = dict(map(
+                    lambda item: (item[0], item[1].to_dict())
+                    if hasattr(item[1], "to_dict") else item,
+                    value.items()
+                ))
+            else:
+                if attr in self.sensitive_list:
+                    result[attr] = "****"
+                else:
+                    result[attr] = value
+
+        return result
+
+    def to_str(self):
+        """Returns the string representation of the model"""
+        import simplejson as json
+        if six.PY2:
+            import sys
+            reload(sys)
+            sys.setdefaultencoding("utf-8")
+        return json.dumps(sanitize_for_serialization(self), ensure_ascii=False)
+
+    def __repr__(self):
+        """For `print`"""
+        return self.to_str()
+
+    def __eq__(self, other):
+        """Returns true if both objects are equal"""
+        if not isinstance(other, OptimizationResult):
+            return False
+
+        return self.__dict__ == other.__dict__
+
+    def __ne__(self, other):
+        """Returns true if both objects are not equal"""
+        return not self == other

huaweicloudsdkeihealth/v1/model/optimization_result_item.py

@@ -0,0 +1,226 @@
+# coding: utf-8
+
+import six
+
+from huaweicloudsdkcore.utils.http_utils import sanitize_for_serialization
+
+
+class OptimizationResultItem:
+
+    """
+    Attributes:
+      openapi_types (dict): The key is attribute name
+                            and the value is attribute type.
+      attribute_map (dict): The key is attribute name
+                            and the value is json key in definition.
+    """
+    sensitive_list = []
+
+    openapi_types = {
+        'smiles': 'str',
+        'props': 'list[PropertyValue]',
+        'similarity': 'float',
+        'num_fulfilled_weak_constraints': 'int',
+        'score': 'float'
+    }
+
+    attribute_map = {
+        'smiles': 'smiles',
+        'props': 'props',
+        'similarity': 'similarity',
+        'num_fulfilled_weak_constraints': 'num_fulfilled_weak_constraints',
+        'score': 'score'
+    }
+
+    def __init__(self, smiles=None, props=None, similarity=None, num_fulfilled_weak_constraints=None, score=None):
+        r"""OptimizationResultItem
+
+        The model defined in huaweicloud sdk
+
+        :param smiles: 分子SMILES表达式
+        :type smiles: str
+        :param props: 分子ADMET属性值列表
+        :type props: list[:class:`huaweicloudsdkeihealth.v1.PropertyValue`]
+        :param similarity: 分子与初始分子的相似度
+        :type similarity: float
+        :param num_fulfilled_weak_constraints: 分子所满足的弱约束数量
+        :type num_fulfilled_weak_constraints: int
+        :param score: 分子的打分
+        :type score: float
+        """
+        
+        
+
+        self._smiles = None
+        self._props = None
+        self._similarity = None
+        self._num_fulfilled_weak_constraints = None
+        self._score = None
+        self.discriminator = None
+
+        self.smiles = smiles
+        self.props = props
+        self.similarity = similarity
+        self.num_fulfilled_weak_constraints = num_fulfilled_weak_constraints
+        self.score = score
+
+    @property
+    def smiles(self):
+        r"""Gets the smiles of this OptimizationResultItem.
+
+        分子SMILES表达式
+
+        :return: The smiles of this OptimizationResultItem.
+        :rtype: str
+        """
+        return self._smiles
+
+    @smiles.setter
+    def smiles(self, smiles):
+        r"""Sets the smiles of this OptimizationResultItem.
+
+        分子SMILES表达式
+
+        :param smiles: The smiles of this OptimizationResultItem.
+        :type smiles: str
+        """
+        self._smiles = smiles
+
+    @property
+    def props(self):
+        r"""Gets the props of this OptimizationResultItem.
+
+        分子ADMET属性值列表
+
+        :return: The props of this OptimizationResultItem.
+        :rtype: list[:class:`huaweicloudsdkeihealth.v1.PropertyValue`]
+        """
+        return self._props
+
+    @props.setter
+    def props(self, props):
+        r"""Sets the props of this OptimizationResultItem.
+
+        分子ADMET属性值列表
+
+        :param props: The props of this OptimizationResultItem.
+        :type props: list[:class:`huaweicloudsdkeihealth.v1.PropertyValue`]
+        """
+        self._props = props
+
+    @property
+    def similarity(self):
+        r"""Gets the similarity of this OptimizationResultItem.
+
+        分子与初始分子的相似度
+
+        :return: The similarity of this OptimizationResultItem.
+        :rtype: float
+        """
+        return self._similarity
+
+    @similarity.setter
+    def similarity(self, similarity):
+        r"""Sets the similarity of this OptimizationResultItem.
+
+        分子与初始分子的相似度
+
+        :param similarity: The similarity of this OptimizationResultItem.
+        :type similarity: float
+        """
+        self._similarity = similarity
+
+    @property
+    def num_fulfilled_weak_constraints(self):
+        r"""Gets the num_fulfilled_weak_constraints of this OptimizationResultItem.
+
+        分子所满足的弱约束数量
+
+        :return: The num_fulfilled_weak_constraints of this OptimizationResultItem.
+        :rtype: int
+        """
+        return self._num_fulfilled_weak_constraints
+
+    @num_fulfilled_weak_constraints.setter
+    def num_fulfilled_weak_constraints(self, num_fulfilled_weak_constraints):
+        r"""Sets the num_fulfilled_weak_constraints of this OptimizationResultItem.
+
+        分子所满足的弱约束数量
+
+        :param num_fulfilled_weak_constraints: The num_fulfilled_weak_constraints of this OptimizationResultItem.
+        :type num_fulfilled_weak_constraints: int
+        """
+        self._num_fulfilled_weak_constraints = num_fulfilled_weak_constraints
+
+    @property
+    def score(self):
+        r"""Gets the score of this OptimizationResultItem.
+
+        分子的打分
+
+        :return: The score of this OptimizationResultItem.
+        :rtype: float
+        """
+        return self._score
+
+    @score.setter
+    def score(self, score):
+        r"""Sets the score of this OptimizationResultItem.
+
+        分子的打分
+
+        :param score: The score of this OptimizationResultItem.
+        :type score: float
+        """
+        self._score = score
+
+    def to_dict(self):
+        """Returns the model properties as a dict"""
+        result = {}
+
+        for attr, _ in six.iteritems(self.openapi_types):
+            value = getattr(self, attr)
+            if isinstance(value, list):
+                result[attr] = list(map(
+                    lambda x: x.to_dict() if hasattr(x, "to_dict") else x,
+                    value
+                ))
+            elif hasattr(value, "to_dict"):
+                result[attr] = value.to_dict()
+            elif isinstance(value, dict):
+                result[attr] = dict(map(
+                    lambda item: (item[0], item[1].to_dict())
+                    if hasattr(item[1], "to_dict") else item,
+                    value.items()
+                ))
+            else:
+                if attr in self.sensitive_list:
+                    result[attr] = "****"
+                else:
+                    result[attr] = value
+
+        return result
+
+    def to_str(self):
+        """Returns the string representation of the model"""
+        import simplejson as json
+        if six.PY2:
+            import sys
+            reload(sys)
+            sys.setdefaultencoding("utf-8")
+        return json.dumps(sanitize_for_serialization(self), ensure_ascii=False)
+
+    def __repr__(self):
+        """For `print`"""
+        return self.to_str()
+
+    def __eq__(self, other):
+        """Returns true if both objects are equal"""
+        if not isinstance(other, OptimizationResultItem):
+            return False
+
+        return self.__dict__ == other.__dict__
+
+    def __ne__(self, other):
+        """Returns true if both objects are not equal"""
+        return not self == other