SESubstancePhysicochemicals.h
1/* Distributed under the Apache License, Version 2.0.
2 See accompanying NOTICE file for details.*/
3
4#pragma once
5
6// Keep enums in sync with appropriate schema/cdm/SubstanceEnums.proto file !!
7enum class eSubstance_IonicState { NullIonicState = 0, Acid, Base, Neutral, WeakBase };
8extern const std::string& eSubstance_IonicState_Name(eSubstance_IonicState m);
9
10// Keep enums in sync with appropriate schema/cdm/SubstanceEnums.proto file !!
11enum class eSubstance_BindingProtein { NullBindingProtein = 0, AAG, Albumin, Lipoprotein };
12extern const std::string& eSubstance_BindingProtein_Name(eSubstance_BindingProtein m);
13
15{
16 friend class PBSubstance;//friend the serialization class
17public:
18
21
22 virtual void Clear();
23 virtual bool IsValid() const;
24
25 virtual const SEScalar* GetScalar(const std::string& name);
26
27public:
28 virtual bool HasAcidDissociationConstant() const;
29 virtual SEScalar& GetAcidDissociationConstant();
30 virtual double GetAcidDissociationConstant() const;
31
32 virtual eSubstance_BindingProtein GetBindingProtein() const;
33 virtual void SetBindingProtein(eSubstance_BindingProtein state);
34 virtual bool HasBindingProtein() const;
35 virtual void InvalidateBindingProtein();
36
37 virtual bool HasBloodPlasmaRatio() const;
38 virtual SEScalar& GetBloodPlasmaRatio();
39 virtual double GetBloodPlasmaRatio() const;
40
41 virtual bool HasFractionUnboundInPlasma() const;
42 virtual SEScalar0To1& GetFractionUnboundInPlasma();
43 virtual double GetFractionUnboundInPlasma() const;
44
45 virtual eSubstance_IonicState GetIonicState() const;
46 virtual void SetIonicState(eSubstance_IonicState state);
47 virtual bool HasIonicState() const;
48 virtual void InvalidateIonicState();
49
50 virtual bool HasLogP() const;
51 virtual SEScalar& GetLogP();
52 virtual double GetLogP() const;
53
54 virtual bool HasOralAbsorptionRateConstant() const;
55 virtual SEScalar& GetOralAbsorptionRateConstant();
56 virtual double GetOralAbsorptionRateConstant() const;
57
58protected:
60 eSubstance_BindingProtein m_BindingProtein;
63 eSubstance_IonicState m_IonicState;
66};
Definition: Logger.h:23
Definition: Logger.h:71
Definition: PBSubstance.h:19
Definition: SEScalar0To1.h:8
Definition: SEScalar.h:19
Definition: SESubstancePhysicochemicals.h:15
eSubstance_IonicState m_IonicState
Definition: SESubstancePhysicochemicals.h:63
SEScalar * m_LogP
Definition: SESubstancePhysicochemicals.h:64
SEScalar * m_BloodPlasmaRatio
Definition: SESubstancePhysicochemicals.h:61
SEScalar0To1 * m_FractionUnboundInPlasma
Definition: SESubstancePhysicochemicals.h:62
SEScalar * m_AcidDissociationConstant
Definition: SESubstancePhysicochemicals.h:59
eSubstance_BindingProtein m_BindingProtein
Definition: SESubstancePhysicochemicals.h:60
SEScalar * m_OralAbsorptionRateConstant
Definition: SESubstancePhysicochemicals.h:65

Distributed under the Apache License, Version 2.0.

See accompanying NOTICE file for details.