huaweicloudsdkeihealth 3.1.86__py2.py3-none-any.whl → 3.1.132__py2.py3-none-any.whl

huaweicloudsdkeihealth/v1/model/md_step_param.py

@@ -0,0 +1,202 @@
+# coding: utf-8
+
+import six
+
+from huaweicloudsdkcore.utils.http_utils import sanitize_for_serialization
+
+
+class MdStepParam:
+
+    """
+    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 = {
+        'energy_minimization_steps': 'int',
+        'nvt': 'float',
+        'npt': 'float',
+        'simulation_time': 'float'
+    }
+
+    attribute_map = {
+        'energy_minimization_steps': 'energy_minimization_steps',
+        'nvt': 'nvt',
+        'npt': 'npt',
+        'simulation_time': 'simulation_time'
+    }
+
+    def __init__(self, energy_minimization_steps=None, nvt=None, npt=None, simulation_time=None):
+        """MdStepParam
+
+        The model defined in huaweicloud sdk
+
+        :param energy_minimization_steps: 能量最小化的步骤
+        :type energy_minimization_steps: int
+        :param nvt: 等温等体步骤模拟的时长，单位ps
+        :type nvt: float
+        :param npt: 等压等温步骤模拟的时长，单位ps
+        :type npt: float
+        :param simulation_time: 平衡步骤模拟的时长，单位ns
+        :type simulation_time: float
+        """
+        
+        
+
+        self._energy_minimization_steps = None
+        self._nvt = None
+        self._npt = None
+        self._simulation_time = None
+        self.discriminator = None
+
+        if energy_minimization_steps is not None:
+            self.energy_minimization_steps = energy_minimization_steps
+        if nvt is not None:
+            self.nvt = nvt
+        if npt is not None:
+            self.npt = npt
+        if simulation_time is not None:
+            self.simulation_time = simulation_time
+
+    @property
+    def energy_minimization_steps(self):
+        """Gets the energy_minimization_steps of this MdStepParam.
+
+        能量最小化的步骤
+
+        :return: The energy_minimization_steps of this MdStepParam.
+        :rtype: int
+        """
+        return self._energy_minimization_steps
+
+    @energy_minimization_steps.setter
+    def energy_minimization_steps(self, energy_minimization_steps):
+        """Sets the energy_minimization_steps of this MdStepParam.
+
+        能量最小化的步骤
+
+        :param energy_minimization_steps: The energy_minimization_steps of this MdStepParam.
+        :type energy_minimization_steps: int
+        """
+        self._energy_minimization_steps = energy_minimization_steps
+
+    @property
+    def nvt(self):
+        """Gets the nvt of this MdStepParam.
+
+        等温等体步骤模拟的时长，单位ps
+
+        :return: The nvt of this MdStepParam.
+        :rtype: float
+        """
+        return self._nvt
+
+    @nvt.setter
+    def nvt(self, nvt):
+        """Sets the nvt of this MdStepParam.
+
+        等温等体步骤模拟的时长，单位ps
+
+        :param nvt: The nvt of this MdStepParam.
+        :type nvt: float
+        """
+        self._nvt = nvt
+
+    @property
+    def npt(self):
+        """Gets the npt of this MdStepParam.
+
+        等压等温步骤模拟的时长，单位ps
+
+        :return: The npt of this MdStepParam.
+        :rtype: float
+        """
+        return self._npt
+
+    @npt.setter
+    def npt(self, npt):
+        """Sets the npt of this MdStepParam.
+
+        等压等温步骤模拟的时长，单位ps
+
+        :param npt: The npt of this MdStepParam.
+        :type npt: float
+        """
+        self._npt = npt
+
+    @property
+    def simulation_time(self):
+        """Gets the simulation_time of this MdStepParam.
+
+        平衡步骤模拟的时长，单位ns
+
+        :return: The simulation_time of this MdStepParam.
+        :rtype: float
+        """
+        return self._simulation_time
+
+    @simulation_time.setter
+    def simulation_time(self, simulation_time):
+        """Sets the simulation_time of this MdStepParam.
+
+        平衡步骤模拟的时长，单位ns
+
+        :param simulation_time: The simulation_time of this MdStepParam.
+        :type simulation_time: float
+        """
+        self._simulation_time = simulation_time
+
+    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, MdStepParam):
+            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/model_dto.py

@@ -31,7 +31,9 @@ class ModelDto:
         'description': 'str',
         'failed_message': 'str',
         'losses': 'list[float]',
-        'metrics': 'list[ModelMetric]'
+        'metrics': 'list[ModelMetric]',
+        'base_model_id': 'str',
+        'base_model_name': 'str'
     }
 
     attribute_map = {
@@ -49,10 +51,12 @@ class ModelDto:
         'description': 'description',
         'failed_message': 'failed_message',
         'losses': 'losses',
-        'metrics': 'metrics'
+        'metrics': 'metrics',
+        'base_model_id': 'base_model_id',
+        'base_model_name': 'base_model_name'
     }
 
-    def __init__(self, name=None, id=None, type=None, create_time=None, finish_time=None, creator=None, status=None, shareable=None, data_quantity=None, file=None, value_range=None, description=None, failed_message=None, losses=None, metrics=None):
+    def __init__(self, name=None, id=None, type=None, create_time=None, finish_time=None, creator=None, status=None, shareable=None, data_quantity=None, file=None, value_range=None, description=None, failed_message=None, losses=None, metrics=None, base_model_id=None, base_model_name=None):
         """ModelDto
 
         The model defined in huaweicloud sdk
@@ -87,6 +91,10 @@ class ModelDto:
         :type losses: list[float]
         :param metrics: 模型评估指标
         :type metrics: list[:class:`huaweicloudsdkeihealth.v1.ModelMetric`]
+        :param base_model_id: 基模型id
+        :type base_model_id: str
+        :param base_model_name: 基模型名称
+        :type base_model_name: str
         """
         
         
@@ -106,6 +114,8 @@ class ModelDto:
         self._failed_message = None
         self._losses = None
         self._metrics = None
+        self._base_model_id = None
+        self._base_model_name = None
         self.discriminator = None
 
         if name is not None:
@@ -138,6 +148,10 @@ class ModelDto:
             self.losses = losses
         if metrics is not None:
             self.metrics = metrics
+        if base_model_id is not None:
+            self.base_model_id = base_model_id
+        if base_model_name is not None:
+            self.base_model_name = base_model_name
 
     @property
     def name(self):
@@ -461,6 +475,50 @@ class ModelDto:
         """
         self._metrics = metrics
 
+    @property
+    def base_model_id(self):
+        """Gets the base_model_id of this ModelDto.
+
+        基模型id
+
+        :return: The base_model_id of this ModelDto.
+        :rtype: str
+        """
+        return self._base_model_id
+
+    @base_model_id.setter
+    def base_model_id(self, base_model_id):
+        """Sets the base_model_id of this ModelDto.
+
+        基模型id
+
+        :param base_model_id: The base_model_id of this ModelDto.
+        :type base_model_id: str
+        """
+        self._base_model_id = base_model_id
+
+    @property
+    def base_model_name(self):
+        """Gets the base_model_name of this ModelDto.
+
+        基模型名称
+
+        :return: The base_model_name of this ModelDto.
+        :rtype: str
+        """
+        return self._base_model_name
+
+    @base_model_name.setter
+    def base_model_name(self, base_model_name):
+        """Sets the base_model_name of this ModelDto.
+
+        基模型名称
+
+        :param base_model_name: The base_model_name of this ModelDto.
+        :type base_model_name: str
+        """
+        self._base_model_name = base_model_name
+
     def to_dict(self):
         """Returns the model properties as a dict"""
         result = {}

huaweicloudsdkeihealth/v1/model/optimization_mode.py

@@ -12,6 +12,7 @@ class OptimizationMode:
     GENERATION = "generation"
     SIDE_CHAINS_DECORATION = "side_chains_decoration"
     SCAFFOLD_HOPPING = "scaffold_hopping"
+    FRAGMENT_GROWING = "fragment_growing"
     """
     Attributes:
       openapi_types (dict): The key is attribute name

huaweicloudsdkeihealth/v1/model/pocket_fragment.py

@@ -20,6 +20,7 @@ class PocketFragment:
         'source': 'DrugFileSource',
         'url': 'str',
         'format': 'str',
+        'name': 'str',
         'data': 'str',
         'edited': 'EditedLigand',
         'label_sites': 'LabelSite'
@@ -29,12 +30,13 @@ class PocketFragment:
         'source': 'source',
         'url': 'url',
         'format': 'format',
+        'name': 'name',
         'data': 'data',
         'edited': 'edited',
         'label_sites': 'label_sites'
     }
 
-    def __init__(self, source=None, url=None, format=None, data=None, edited=None, label_sites=None):
+    def __init__(self, source=None, url=None, format=None, name=None, data=None, edited=None, label_sites=None):
         """PocketFragment
 
         The model defined in huaweicloud sdk
@@ -45,6 +47,8 @@ class PocketFragment:
         :type url: str
         :param format: 文件格式，支持PDB、SDF、MOL2、SMI，仅数据源为RAW时提供
         :type format: str
+        :param name: 原始配体名称，仅RAW类型时用于配体名称标识
+        :type name: str
         :param data: 文件原始数据，仅数据源为RAW时提供
         :type data: str
         :param edited: 
@@ -58,6 +62,7 @@ class PocketFragment:
         self._source = None
         self._url = None
         self._format = None
+        self._name = None
         self._data = None
         self._edited = None
         self._label_sites = None
@@ -69,6 +74,8 @@ class PocketFragment:
             self.url = url
         if format is not None:
             self.format = format
+        if name is not None:
+            self.name = name
         if data is not None:
             self.data = data
         if edited is not None:
@@ -138,6 +145,28 @@ class PocketFragment:
         """
         self._format = format
 
+    @property
+    def name(self):
+        """Gets the name of this PocketFragment.
+
+        原始配体名称，仅RAW类型时用于配体名称标识
+
+        :return: The name of this PocketFragment.
+        :rtype: str
+        """
+        return self._name
+
+    @name.setter
+    def name(self, name):
+        """Sets the name of this PocketFragment.
+
+        原始配体名称，仅RAW类型时用于配体名称标识
+
+        :param name: The name of this PocketFragment.
+        :type name: str
+        """
+        self._name = name
+
     @property
     def data(self):
         """Gets the data of this PocketFragment.

huaweicloudsdkeihealth/v1/model/receptor_dto.py

@@ -0,0 +1,280 @@
+# coding: utf-8
+
+import six
+
+from huaweicloudsdkcore.utils.http_utils import sanitize_for_serialization
+
+
+class ReceptorDto:
+
+    """
+    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',
+        'receptor': 'ReceptorDrugFile',
+        'bounding_box': 'BoundBoxDto',
+        'remove_ion': 'bool',
+        'remove_water': 'bool',
+        'remove_ligand': 'bool',
+        'add_hydrogen': 'bool'
+    }
+
+    attribute_map = {
+        'name': 'name',
+        'receptor': 'receptor',
+        'bounding_box': 'bounding_box',
+        'remove_ion': 'remove_ion',
+        'remove_water': 'remove_water',
+        'remove_ligand': 'remove_ligand',
+        'add_hydrogen': 'add_hydrogen'
+    }
+
+    def __init__(self, name=None, receptor=None, bounding_box=None, remove_ion=None, remove_water=None, remove_ligand=None, add_hydrogen=None):
+        """ReceptorDto
+
+        The model defined in huaweicloud sdk
+
+        :param name: 靶点名称。
+        :type name: str
+        :param receptor: 
+        :type receptor: :class:`huaweicloudsdkeihealth.v1.ReceptorDrugFile`
+        :param bounding_box: 
+        :type bounding_box: :class:`huaweicloudsdkeihealth.v1.BoundBoxDto`
+        :param remove_ion: 去除受体中的离子。
+        :type remove_ion: bool
+        :param remove_water: 去除受体中的水分子。
+        :type remove_water: bool
+        :param remove_ligand: 去除受体中的配体分子。
+        :type remove_ligand: bool
+        :param add_hydrogen: 增加氢原子。
+        :type add_hydrogen: bool
+        """
+        
+        
+
+        self._name = None
+        self._receptor = None
+        self._bounding_box = None
+        self._remove_ion = None
+        self._remove_water = None
+        self._remove_ligand = None
+        self._add_hydrogen = None
+        self.discriminator = None
+
+        if name is not None:
+            self.name = name
+        self.receptor = receptor
+        if bounding_box is not None:
+            self.bounding_box = bounding_box
+        if remove_ion is not None:
+            self.remove_ion = remove_ion
+        if remove_water is not None:
+            self.remove_water = remove_water
+        if remove_ligand is not None:
+            self.remove_ligand = remove_ligand
+        if add_hydrogen is not None:
+            self.add_hydrogen = add_hydrogen
+
+    @property
+    def name(self):
+        """Gets the name of this ReceptorDto.
+
+        靶点名称。
+
+        :return: The name of this ReceptorDto.
+        :rtype: str
+        """
+        return self._name
+
+    @name.setter
+    def name(self, name):
+        """Sets the name of this ReceptorDto.
+
+        靶点名称。
+
+        :param name: The name of this ReceptorDto.
+        :type name: str
+        """
+        self._name = name
+
+    @property
+    def receptor(self):
+        """Gets the receptor of this ReceptorDto.
+
+        :return: The receptor of this ReceptorDto.
+        :rtype: :class:`huaweicloudsdkeihealth.v1.ReceptorDrugFile`
+        """
+        return self._receptor
+
+    @receptor.setter
+    def receptor(self, receptor):
+        """Sets the receptor of this ReceptorDto.
+
+        :param receptor: The receptor of this ReceptorDto.
+        :type receptor: :class:`huaweicloudsdkeihealth.v1.ReceptorDrugFile`
+        """
+        self._receptor = receptor
+
+    @property
+    def bounding_box(self):
+        """Gets the bounding_box of this ReceptorDto.
+
+        :return: The bounding_box of this ReceptorDto.
+        :rtype: :class:`huaweicloudsdkeihealth.v1.BoundBoxDto`
+        """
+        return self._bounding_box
+
+    @bounding_box.setter
+    def bounding_box(self, bounding_box):
+        """Sets the bounding_box of this ReceptorDto.
+
+        :param bounding_box: The bounding_box of this ReceptorDto.
+        :type bounding_box: :class:`huaweicloudsdkeihealth.v1.BoundBoxDto`
+        """
+        self._bounding_box = bounding_box
+
+    @property
+    def remove_ion(self):
+        """Gets the remove_ion of this ReceptorDto.
+
+        去除受体中的离子。
+
+        :return: The remove_ion of this ReceptorDto.
+        :rtype: bool
+        """
+        return self._remove_ion
+
+    @remove_ion.setter
+    def remove_ion(self, remove_ion):
+        """Sets the remove_ion of this ReceptorDto.
+
+        去除受体中的离子。
+
+        :param remove_ion: The remove_ion of this ReceptorDto.
+        :type remove_ion: bool
+        """
+        self._remove_ion = remove_ion
+
+    @property
+    def remove_water(self):
+        """Gets the remove_water of this ReceptorDto.
+
+        去除受体中的水分子。
+
+        :return: The remove_water of this ReceptorDto.
+        :rtype: bool
+        """
+        return self._remove_water
+
+    @remove_water.setter
+    def remove_water(self, remove_water):
+        """Sets the remove_water of this ReceptorDto.
+
+        去除受体中的水分子。
+
+        :param remove_water: The remove_water of this ReceptorDto.
+        :type remove_water: bool
+        """
+        self._remove_water = remove_water
+
+    @property
+    def remove_ligand(self):
+        """Gets the remove_ligand of this ReceptorDto.
+
+        去除受体中的配体分子。
+
+        :return: The remove_ligand of this ReceptorDto.
+        :rtype: bool
+        """
+        return self._remove_ligand
+
+    @remove_ligand.setter
+    def remove_ligand(self, remove_ligand):
+        """Sets the remove_ligand of this ReceptorDto.
+
+        去除受体中的配体分子。
+
+        :param remove_ligand: The remove_ligand of this ReceptorDto.
+        :type remove_ligand: bool
+        """
+        self._remove_ligand = remove_ligand
+
+    @property
+    def add_hydrogen(self):
+        """Gets the add_hydrogen of this ReceptorDto.
+
+        增加氢原子。
+
+        :return: The add_hydrogen of this ReceptorDto.
+        :rtype: bool
+        """
+        return self._add_hydrogen
+
+    @add_hydrogen.setter
+    def add_hydrogen(self, add_hydrogen):
+        """Sets the add_hydrogen of this ReceptorDto.
+
+        增加氢原子。
+
+        :param add_hydrogen: The add_hydrogen of this ReceptorDto.
+        :type add_hydrogen: bool
+        """
+        self._add_hydrogen = add_hydrogen
+
+    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, ReceptorDto):
+            return False
+
+        return self.__dict__ == other.__dict__
+
+    def __ne__(self, other):
+        """Returns true if both objects are not equal"""
+        return not self == other