huaweicloudsdkeihealth 3.1.108__py2.py3-none-any.whl → 3.1.110__py2.py3-none-any.whl

huaweicloudsdkeihealth/v1/model/show_target_opt_job_response.py

@@ -0,0 +1,187 @@
+# coding: utf-8
+
+import six
+
+from huaweicloudsdkcore.sdk_response import SdkResponse
+from huaweicloudsdkcore.utils.http_utils import sanitize_for_serialization
+
+
+class ShowTargetOptJobResponse(SdkResponse):
+
+    """
+    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 = {
+        'basic_info': 'DrugJobDto',
+        'receptor': 'TargetOptReceptor',
+        'ligand': 'TargetOptLigand',
+        'md_params': 'MdParam'
+    }
+
+    attribute_map = {
+        'basic_info': 'basic_info',
+        'receptor': 'receptor',
+        'ligand': 'ligand',
+        'md_params': 'md_params'
+    }
+
+    def __init__(self, basic_info=None, receptor=None, ligand=None, md_params=None):
+        """ShowTargetOptJobResponse
+
+        The model defined in huaweicloud sdk
+
+        :param basic_info: 
+        :type basic_info: :class:`huaweicloudsdkeihealth.v1.DrugJobDto`
+        :param receptor: 
+        :type receptor: :class:`huaweicloudsdkeihealth.v1.TargetOptReceptor`
+        :param ligand: 
+        :type ligand: :class:`huaweicloudsdkeihealth.v1.TargetOptLigand`
+        :param md_params: 
+        :type md_params: :class:`huaweicloudsdkeihealth.v1.MdParam`
+        """
+        
+        super(ShowTargetOptJobResponse, self).__init__()
+
+        self._basic_info = None
+        self._receptor = None
+        self._ligand = None
+        self._md_params = None
+        self.discriminator = None
+
+        if basic_info is not None:
+            self.basic_info = basic_info
+        if receptor is not None:
+            self.receptor = receptor
+        if ligand is not None:
+            self.ligand = ligand
+        if md_params is not None:
+            self.md_params = md_params
+
+    @property
+    def basic_info(self):
+        """Gets the basic_info of this ShowTargetOptJobResponse.
+
+        :return: The basic_info of this ShowTargetOptJobResponse.
+        :rtype: :class:`huaweicloudsdkeihealth.v1.DrugJobDto`
+        """
+        return self._basic_info
+
+    @basic_info.setter
+    def basic_info(self, basic_info):
+        """Sets the basic_info of this ShowTargetOptJobResponse.
+
+        :param basic_info: The basic_info of this ShowTargetOptJobResponse.
+        :type basic_info: :class:`huaweicloudsdkeihealth.v1.DrugJobDto`
+        """
+        self._basic_info = basic_info
+
+    @property
+    def receptor(self):
+        """Gets the receptor of this ShowTargetOptJobResponse.
+
+        :return: The receptor of this ShowTargetOptJobResponse.
+        :rtype: :class:`huaweicloudsdkeihealth.v1.TargetOptReceptor`
+        """
+        return self._receptor
+
+    @receptor.setter
+    def receptor(self, receptor):
+        """Sets the receptor of this ShowTargetOptJobResponse.
+
+        :param receptor: The receptor of this ShowTargetOptJobResponse.
+        :type receptor: :class:`huaweicloudsdkeihealth.v1.TargetOptReceptor`
+        """
+        self._receptor = receptor
+
+    @property
+    def ligand(self):
+        """Gets the ligand of this ShowTargetOptJobResponse.
+
+        :return: The ligand of this ShowTargetOptJobResponse.
+        :rtype: :class:`huaweicloudsdkeihealth.v1.TargetOptLigand`
+        """
+        return self._ligand
+
+    @ligand.setter
+    def ligand(self, ligand):
+        """Sets the ligand of this ShowTargetOptJobResponse.
+
+        :param ligand: The ligand of this ShowTargetOptJobResponse.
+        :type ligand: :class:`huaweicloudsdkeihealth.v1.TargetOptLigand`
+        """
+        self._ligand = ligand
+
+    @property
+    def md_params(self):
+        """Gets the md_params of this ShowTargetOptJobResponse.
+
+        :return: The md_params of this ShowTargetOptJobResponse.
+        :rtype: :class:`huaweicloudsdkeihealth.v1.MdParam`
+        """
+        return self._md_params
+
+    @md_params.setter
+    def md_params(self, md_params):
+        """Sets the md_params of this ShowTargetOptJobResponse.
+
+        :param md_params: The md_params of this ShowTargetOptJobResponse.
+        :type md_params: :class:`huaweicloudsdkeihealth.v1.MdParam`
+        """
+        self._md_params = md_params
+
+    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, ShowTargetOptJobResponse):
+            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/strong_constraint_dto.py

@@ -22,7 +22,8 @@ class StrongConstraintDto:
         'type': 'StrongConstraintType',
         'bool': 'bool',
         'range': 'list[float]',
-        'struct': 'StructureConstraintParamsDto'
+        'struct': 'StructureConstraintParamsDto',
+        'interaction': 'InteractionConstraintDto'
     }
 
     attribute_map = {
@@ -31,10 +32,11 @@ class StrongConstraintDto:
         'type': 'type',
         'bool': 'bool',
         'range': 'range',
-        'struct': 'struct'
+        'struct': 'struct',
+        'interaction': 'interaction'
     }
 
-    def __init__(self, id=None, name=None, type=None, bool=None, range=None, struct=None):
+    def __init__(self, id=None, name=None, type=None, bool=None, range=None, struct=None, interaction=None):
         """StrongConstraintDto
 
         The model defined in huaweicloud sdk
@@ -51,6 +53,8 @@ class StrongConstraintDto:
         :type range: list[float]
         :param struct: 
         :type struct: :class:`huaweicloudsdkeihealth.v1.StructureConstraintParamsDto`
+        :param interaction: 
+        :type interaction: :class:`huaweicloudsdkeihealth.v1.InteractionConstraintDto`
         """
         
         
@@ -61,6 +65,7 @@ class StrongConstraintDto:
         self._bool = None
         self._range = None
         self._struct = None
+        self._interaction = None
         self.discriminator = None
 
         if id is not None:
@@ -74,6 +79,8 @@ class StrongConstraintDto:
             self.range = range
         if struct is not None:
             self.struct = struct
+        if interaction is not None:
+            self.interaction = interaction
 
     @property
     def id(self):
@@ -199,6 +206,24 @@ class StrongConstraintDto:
         """
         self._struct = struct
 
+    @property
+    def interaction(self):
+        """Gets the interaction of this StrongConstraintDto.
+
+        :return: The interaction of this StrongConstraintDto.
+        :rtype: :class:`huaweicloudsdkeihealth.v1.InteractionConstraintDto`
+        """
+        return self._interaction
+
+    @interaction.setter
+    def interaction(self, interaction):
+        """Sets the interaction of this StrongConstraintDto.
+
+        :param interaction: The interaction of this StrongConstraintDto.
+        :type interaction: :class:`huaweicloudsdkeihealth.v1.InteractionConstraintDto`
+        """
+        self._interaction = interaction
+
     def to_dict(self):
         """Returns the model properties as a dict"""
         result = {}

huaweicloudsdkeihealth/v1/model/strong_constraint_type.py

@@ -12,6 +12,7 @@ class StrongConstraintType:
     BOOL = "bool"
     RANGE = "range"
     STRUCT = "struct"
+    INTERACTION = "interaction"
     """
     Attributes:
       openapi_types (dict): The key is attribute name

huaweicloudsdkeihealth/v1/model/target_opt_ligand.py

@@ -0,0 +1,139 @@
+# coding: utf-8
+
+import six
+
+from huaweicloudsdkcore.utils.http_utils import sanitize_for_serialization
+
+
+class TargetOptLigand:
+
+    """
+    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 = {
+        'file': 'ProbeDrugFile',
+        'force_field': 'str'
+    }
+
+    attribute_map = {
+        'file': 'file',
+        'force_field': 'force_field'
+    }
+
+    def __init__(self, file=None, force_field=None):
+        """TargetOptLigand
+
+        The model defined in huaweicloud sdk
+
+        :param file: 
+        :type file: :class:`huaweicloudsdkeihealth.v1.ProbeDrugFile`
+        :param force_field: 配体力场, 支持选择gaff, gaff2
+        :type force_field: str
+        """
+        
+        
+
+        self._file = None
+        self._force_field = None
+        self.discriminator = None
+
+        self.file = file
+        if force_field is not None:
+            self.force_field = force_field
+
+    @property
+    def file(self):
+        """Gets the file of this TargetOptLigand.
+
+        :return: The file of this TargetOptLigand.
+        :rtype: :class:`huaweicloudsdkeihealth.v1.ProbeDrugFile`
+        """
+        return self._file
+
+    @file.setter
+    def file(self, file):
+        """Sets the file of this TargetOptLigand.
+
+        :param file: The file of this TargetOptLigand.
+        :type file: :class:`huaweicloudsdkeihealth.v1.ProbeDrugFile`
+        """
+        self._file = file
+
+    @property
+    def force_field(self):
+        """Gets the force_field of this TargetOptLigand.
+
+        配体力场, 支持选择gaff, gaff2
+
+        :return: The force_field of this TargetOptLigand.
+        :rtype: str
+        """
+        return self._force_field
+
+    @force_field.setter
+    def force_field(self, force_field):
+        """Sets the force_field of this TargetOptLigand.
+
+        配体力场, 支持选择gaff, gaff2
+
+        :param force_field: The force_field of this TargetOptLigand.
+        :type force_field: str
+        """
+        self._force_field = force_field
+
+    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, TargetOptLigand):
+            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/target_opt_receptor.py

@@ -0,0 +1,255 @@
+# coding: utf-8
+
+import six
+
+from huaweicloudsdkcore.utils.http_utils import sanitize_for_serialization
+
+
+class TargetOptReceptor:
+
+    """
+    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 = {
+        'file': 'ReceptorDrugFile',
+        'balanced_charge': 'bool',
+        'water_model': 'str',
+        'force_field': 'str',
+        'ion_type': 'str',
+        'ion_concentration': 'float'
+    }
+
+    attribute_map = {
+        'file': 'file',
+        'balanced_charge': 'balanced_charge',
+        'water_model': 'water_model',
+        'force_field': 'force_field',
+        'ion_type': 'ion_type',
+        'ion_concentration': 'ion_concentration'
+    }
+
+    def __init__(self, file=None, balanced_charge=None, water_model=None, force_field=None, ion_type=None, ion_concentration=None):
+        """TargetOptReceptor
+
+        The model defined in huaweicloud sdk
+
+        :param file: 
+        :type file: :class:`huaweicloudsdkeihealth.v1.ReceptorDrugFile`
+        :param balanced_charge: 是否平衡电荷
+        :type balanced_charge: bool
+        :param water_model: 水模型, 支持选择spc, spce, tip3p, tip4p, tip5p
+        :type water_model: str
+        :param force_field: 蛋白立场，支持选择amber03, amber94, amber96, amber99, amber99sb, amber99sb-ildn, amberGS, charmm27, oplsaa, gromos43a1, gromos43a2, gromos45a3, gromos53a5, gromos53a6, gromos54a7
+        :type force_field: str
+        :param ion_type: 离子种类，支持选择NaCl、MgCl2、None，若设置了平衡电荷不支持选择None
+        :type ion_type: str
+        :param ion_concentration: 离子浓度，单位mol/L，若离子种类设置为None离子浓度不支持设置
+        :type ion_concentration: float
+        """
+        
+        
+
+        self._file = None
+        self._balanced_charge = None
+        self._water_model = None
+        self._force_field = None
+        self._ion_type = None
+        self._ion_concentration = None
+        self.discriminator = None
+
+        self.file = file
+        if balanced_charge is not None:
+            self.balanced_charge = balanced_charge
+        if water_model is not None:
+            self.water_model = water_model
+        if force_field is not None:
+            self.force_field = force_field
+        if ion_type is not None:
+            self.ion_type = ion_type
+        if ion_concentration is not None:
+            self.ion_concentration = ion_concentration
+
+    @property
+    def file(self):
+        """Gets the file of this TargetOptReceptor.
+
+        :return: The file of this TargetOptReceptor.
+        :rtype: :class:`huaweicloudsdkeihealth.v1.ReceptorDrugFile`
+        """
+        return self._file
+
+    @file.setter
+    def file(self, file):
+        """Sets the file of this TargetOptReceptor.
+
+        :param file: The file of this TargetOptReceptor.
+        :type file: :class:`huaweicloudsdkeihealth.v1.ReceptorDrugFile`
+        """
+        self._file = file
+
+    @property
+    def balanced_charge(self):
+        """Gets the balanced_charge of this TargetOptReceptor.
+
+        是否平衡电荷
+
+        :return: The balanced_charge of this TargetOptReceptor.
+        :rtype: bool
+        """
+        return self._balanced_charge
+
+    @balanced_charge.setter
+    def balanced_charge(self, balanced_charge):
+        """Sets the balanced_charge of this TargetOptReceptor.
+
+        是否平衡电荷
+
+        :param balanced_charge: The balanced_charge of this TargetOptReceptor.
+        :type balanced_charge: bool
+        """
+        self._balanced_charge = balanced_charge
+
+    @property
+    def water_model(self):
+        """Gets the water_model of this TargetOptReceptor.
+
+        水模型, 支持选择spc, spce, tip3p, tip4p, tip5p
+
+        :return: The water_model of this TargetOptReceptor.
+        :rtype: str
+        """
+        return self._water_model
+
+    @water_model.setter
+    def water_model(self, water_model):
+        """Sets the water_model of this TargetOptReceptor.
+
+        水模型, 支持选择spc, spce, tip3p, tip4p, tip5p
+
+        :param water_model: The water_model of this TargetOptReceptor.
+        :type water_model: str
+        """
+        self._water_model = water_model
+
+    @property
+    def force_field(self):
+        """Gets the force_field of this TargetOptReceptor.
+
+        蛋白立场，支持选择amber03, amber94, amber96, amber99, amber99sb, amber99sb-ildn, amberGS, charmm27, oplsaa, gromos43a1, gromos43a2, gromos45a3, gromos53a5, gromos53a6, gromos54a7
+
+        :return: The force_field of this TargetOptReceptor.
+        :rtype: str
+        """
+        return self._force_field
+
+    @force_field.setter
+    def force_field(self, force_field):
+        """Sets the force_field of this TargetOptReceptor.
+
+        蛋白立场，支持选择amber03, amber94, amber96, amber99, amber99sb, amber99sb-ildn, amberGS, charmm27, oplsaa, gromos43a1, gromos43a2, gromos45a3, gromos53a5, gromos53a6, gromos54a7
+
+        :param force_field: The force_field of this TargetOptReceptor.
+        :type force_field: str
+        """
+        self._force_field = force_field
+
+    @property
+    def ion_type(self):
+        """Gets the ion_type of this TargetOptReceptor.
+
+        离子种类，支持选择NaCl、MgCl2、None，若设置了平衡电荷不支持选择None
+
+        :return: The ion_type of this TargetOptReceptor.
+        :rtype: str
+        """
+        return self._ion_type
+
+    @ion_type.setter
+    def ion_type(self, ion_type):
+        """Sets the ion_type of this TargetOptReceptor.
+
+        离子种类，支持选择NaCl、MgCl2、None，若设置了平衡电荷不支持选择None
+
+        :param ion_type: The ion_type of this TargetOptReceptor.
+        :type ion_type: str
+        """
+        self._ion_type = ion_type
+
+    @property
+    def ion_concentration(self):
+        """Gets the ion_concentration of this TargetOptReceptor.
+
+        离子浓度，单位mol/L，若离子种类设置为None离子浓度不支持设置
+
+        :return: The ion_concentration of this TargetOptReceptor.
+        :rtype: float
+        """
+        return self._ion_concentration
+
+    @ion_concentration.setter
+    def ion_concentration(self, ion_concentration):
+        """Sets the ion_concentration of this TargetOptReceptor.
+
+        离子浓度，单位mol/L，若离子种类设置为None离子浓度不支持设置
+
+        :param ion_concentration: The ion_concentration of this TargetOptReceptor.
+        :type ion_concentration: float
+        """
+        self._ion_concentration = ion_concentration
+
+    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, TargetOptReceptor):
+            return False
+
+        return self.__dict__ == other.__dict__
+
+    def __ne__(self, other):
+        """Returns true if both objects are not equal"""
+        return not self == other