OEColorForceField

class OEColorForceField

This class represents OEColorForceField.

Constructors

OEColorForceField()
OEColorForceField(const OEColorForceField &rhs)
OEColorForceField(const OEColorForceFieldImpl *impl)

Default and copy constructors.

operator=

OEColorForceField &operator=(const OEColorForceField &rhs)

AddColorer

bool AddColorer(unsigned int type, const char *smarts)
bool AddColorer(unsigned int type, const std::string &smarts)

AddInteraction

bool AddInteraction(unsigned int type1, unsigned int type2,
                    const std::string &interaction_type, float weight,
                    float range)

AddType

unsigned int AddType(const char *name)
unsigned int AddType(const std::string &name)

Clear

void Clear()

ClearInteractions

void ClearInteractions()

GetTitle

const char *GetTitle() const

GetType

unsigned int GetType(std::string k) const

GetTypeName

std::string GetTypeName(unsigned int type) const

GetTypes

OESystem::OEIterBase<unsigned int>* GetTypes(std::string k) const

Init

bool Init(unsigned int cffType)
bool Init(OEPlatform::oeistream &is, bool verbose=false)
bool Init(const std::string &filename, bool verbose=false)

Ready

bool Ready() const

SetTitle

bool SetTitle(const char *title)

Write

bool Write(OEPlatform::oeostream &os)