libdescriptor.uml

@startuml
!theme vibrant
left to right direction
namespace Namespace::Descriptor {
    class Functions{
        +void compute_single_atom()
        +void compute()
        +void jacobian()
        +void gradient_single_atom()
        +void num_gradient_single_atom()
        +void gradient()
    }

    enum AvailableDescriptor{
        KindSymmetryFunctions
        KindBispectrum
        KindSOAP
        KindXi
    }

    class DescriptorKind{
        int width
        AvailableDescriptor descriptor_kind

        +void compute(int idx,int n_atoms, int *species, int *n_list, int n_neigh, double *coords,double *desc)
        +DescriptorKind* initDescriptor(...)
    }

 }
DescriptorKind <|.. SymmetryFunctions
DescriptorKind <|.. SOAP
DescriptorKind <|.. Bispectrum
DescriptorKind <|.. Xi

   interface SymmetryFunctions{
        +<params>
        +descriptor_kind = KindSymmetryFunctions
        +void clone_empty(DescriptorKind* d_desc)
    }

   interface SOAP{
        +<params>
        +descriptor_kind = KindSOAP
        +void clone_empty(DescriptorKind* d_desc)
    }

   interface Xi{
        +<params>
        +descriptor_kind = KindXi
        +void clone_empty(DescriptorKind* d_desc)
    }

   interface Bispectrum{
        +<params>
        +descriptor_kind = KindBispectrum
        +void clone_empty(DescriptorKind* d_desc)
    }
@enduml