Commit f4e71b1c authored by Vedran Miletić's avatar Vedran Miletić

Fixed linking of rb* commands with MSVC

parent 4674e3eb
......@@ -50,15 +50,15 @@ std::string GetRbtHome();
// GetCopyright - returns legalese statement
std::string GetCopyright();
// GetVersion - returns current library version
std::string GetVersion();
RBTDLL_EXPORT std::string GetVersion();
// GetBuildNum - returns current library build number
std::string GetBuild();
RBTDLL_EXPORT std::string GetBuild();
// GetProduct - returns library product name
std::string GetProduct();
RBTDLL_EXPORT std::string GetProduct();
// GetTime - returns current time and date as an RbtString
std::string GetTime();
// GetCurrentWorkingDirectory - returns current working directory
std::string GetCurrentWorkingDirectory();
RBTDLL_EXPORT std::string GetCurrentWorkingDirectory();
//
////////////////////////////////////////////////////////////////
......@@ -116,9 +116,8 @@ RbtSegmentMap SegmentDiffMap(const RbtSegmentMap &map1,
// DM 30 Mar 1999
// Converts (comma)-delimited string to string list (similar to
// ConvertStringToSegmentMap, but returns list not map)
RbtStringList
ConvertDelimitedStringToList(const std::string &strValues,
const std::string &strDelimiter = ",");
RBTDLL_EXPORT RbtStringList ConvertDelimitedStringToList(
const std::string &strValues, const std::string &strDelimiter = ",");
// Converts string list to (comma)-delimited string (inverse of above)
std::string ConvertListToDelimitedString(const RbtStringList &listOfValues,
const std::string &strDelimiter = ",");
......@@ -148,8 +147,9 @@ PrintStdHeader(std::ostream &s, const std::string &strExecutable = "");
typedef int streamsize;
//#endif
void WriteWithThrow(std::ostream &ostr, const char *p, streamsize n);
void ReadWithThrow(std::istream &istr, char *p, streamsize n);
RBTDLL_EXPORT void WriteWithThrow(std::ostream &ostr, const char *p,
streamsize n);
RBTDLL_EXPORT void ReadWithThrow(std::istream &istr, char *p, streamsize n);
} // namespace Rbt
......
......@@ -64,6 +64,7 @@ public:
RBTDLL_EXPORT RbtAtom();
// Constructor supplying all 2-D parameters
RBTDLL_EXPORT
RbtAtom(int nAtomId, int nAtomicNo = 6, std::string strAtomName = "C",
std::string strSubunitId = "1", std::string strSubunitName = "RES",
std::string strSegmentName = "SEG1",
......@@ -87,7 +88,8 @@ public:
// Insertion operator (primarily for debugging)
// Note: needs to be friend so can access atom private data
// without using the accessor functions
friend std::ostream &operator<<(std::ostream &s, const RbtAtom &atom);
RBTDLL_EXPORT friend std::ostream &operator<<(std::ostream &s,
const RbtAtom &atom);
// Virtual function for dumping atom details to an output stream
// Derived classes (e.g. pseudoatom) can override if required
......@@ -116,8 +118,9 @@ public:
void SetAtomName(const std::string strAtomName) {
m_strAtomName = strAtomName;
}
std::string GetFullAtomName() const; // Returns composite of segment name,
// subunit id and name, and atom name
RBTDLL_EXPORT std::string
GetFullAtomName() const; // Returns composite of segment name,
// subunit id and name, and atom name
// SubunitId
std::string GetSubunitId() const { return m_strSubunitId; }
......@@ -449,7 +452,7 @@ public:
class isAtomHBondAcceptor : public std::unary_function<RbtAtom *, bool> {
public:
explicit isAtomHBondAcceptor() {}
bool operator()(const RbtAtom *) const;
RBTDLL_EXPORT bool operator()(const RbtAtom *) const;
};
// Is atom a H-Bond Donor ?
......@@ -458,7 +461,7 @@ public:
class isAtomHBondDonor : public std::unary_function<RbtAtom *, bool> {
public:
explicit isAtomHBondDonor() {}
bool operator()(const RbtAtom *) const;
RBTDLL_EXPORT bool operator()(const RbtAtom *) const;
};
// Is atom formally charged ?
......@@ -514,7 +517,7 @@ public:
class isPiAtom : public std::unary_function<RbtAtom *, bool> {
public:
explicit isPiAtom() {}
bool operator()(const RbtAtom *) const;
RBTDLL_EXPORT bool operator()(const RbtAtom *) const;
};
// Is atomic number equal to n ?
......@@ -785,8 +788,8 @@ public:
// DM 19 Oct 2001 - extend to all common metals (Na,Mg,K->Zn)
class isAtomMetal : public std::unary_function<RbtAtom *, bool> {
public:
explicit isAtomMetal();
bool operator()(const RbtAtom *pAtom) const;
RBTDLL_EXPORT explicit isAtomMetal();
RBTDLL_EXPORT bool operator()(const RbtAtom *pAtom) const;
};
// DM 21 Jul 1999 Is atom lipophilic ?
......@@ -804,7 +807,7 @@ class isAtomLipophilic : public std::unary_function<RbtAtom *, bool> {
public:
explicit isAtomLipophilic()
: isSP3(RbtAtom::SP3), isSP2(RbtAtom::SP2), isO(8), isN(7) {}
bool operator()(RbtAtom *pAtom) const;
RBTDLL_EXPORT bool operator()(RbtAtom *pAtom) const;
};
//////////////////////////////
......@@ -1127,7 +1130,7 @@ RbtAtomList GetBondedAtomList(const RbtBondMap &bondMap);
// above If spAtom can be dynamically_casted to an RbtPseudoAtom, these return
// the constituent atom list for the pseudoatom
unsigned int GetNumBondedAtoms(const RbtAtom *pAtom);
RbtAtomList GetBondedAtomList(const RbtAtom *pAtom);
RBTDLL_EXPORT RbtAtomList GetBondedAtomList(const RbtAtom *pAtom);
// Binary
......
......@@ -40,21 +40,21 @@ public:
// Public methods
std::string GetFileName();
RBTDLL_EXPORT std::string GetFileName();
// void SetFileName(const char* fileName);
void SetFileName(const std::string &fileName);
// Status and StatusOK parse the file to check for errors
bool StatusOK();
RbtError Status();
RBTDLL_EXPORT RbtError Status();
// FileStatus and FileStatusOK just try and read the file
bool FileStatusOK();
RBTDLL_EXPORT bool FileStatusOK();
RbtError FileStatus();
// Multi-record methods
bool isMultiRecordSupported() { return m_bMultiRec; }
void NextRecord();
RBTDLL_EXPORT void NextRecord();
void Rewind();
protected:
......
......@@ -44,7 +44,8 @@ public:
// DM 21 Apr 1999 - if bUseModelSegmentNames is true, the model segment names
// are rendered if bUseModelSegmentNames is false, incremental numeric segment
// IDs are rendered
void SetModel(RbtModelPtr spModel, bool bUseModelSegmentNames = false);
RBTDLL_EXPORT void SetModel(RbtModelPtr spModel,
bool bUseModelSegmentNames = false);
// DM 21 Apr 1999 - change the segment ID counter
// Set to nSegmentId-1 as the counter gets incremented before each Render
......
......@@ -42,7 +42,7 @@ public:
RBTDLL_EXPORT RbtModelPtr GetReceptor() const;
RBTDLL_EXPORT RbtModelPtr GetLigand() const;
RBTDLL_EXPORT RbtModelList GetSolvent() const;
bool hasSolvent() const;
RBTDLL_EXPORT bool hasSolvent() const;
RBTDLL_EXPORT void SetReceptor(RbtModelPtr spReceptor);
RBTDLL_EXPORT void SetLigand(RbtModelPtr spLigand);
RBTDLL_EXPORT void SetSolvent(RbtModelList solventList);
......
......@@ -44,7 +44,8 @@ public:
// Insertion operator (primarily for debugging)
// Note: needs to be friend so can access bond private data
// without using the accessor functions
friend std::ostream &operator<<(std::ostream &s, const RbtBond &bond);
RBTDLL_EXPORT friend std::ostream &operator<<(std::ostream &s,
const RbtBond &bond);
////////////////////////////////////////
// Public accessor functions
......@@ -161,14 +162,14 @@ public:
class isBondToNH3 : public RbtBondUnaryPredicate {
public:
explicit isBondToNH3() {}
bool operator()(RbtBond *) const;
RBTDLL_EXPORT bool operator()(RbtBond *) const;
};
// Is bond to a terminal OH group?
class isBondToOH : public RbtBondUnaryPredicate {
public:
explicit isBondToOH() {}
bool operator()(RbtBond *pBond) const;
RBTDLL_EXPORT bool operator()(RbtBond *pBond) const;
};
// DM 1 April 1999
......@@ -210,7 +211,7 @@ public:
class isBondAmide : public RbtBondUnaryPredicate {
public:
explicit isBondAmide() {}
bool operator()(RbtBond *) const;
RBTDLL_EXPORT bool operator()(RbtBond *) const;
};
////////////////////////////////////////////
......
......@@ -22,7 +22,8 @@ public:
////////////////////////////////////////
// Constructors/destructors
// RbtCrdFileSink(const char* fileName, RbtModelPtr spModel);
RbtCrdFileSink(const std::string &fileName, RbtModelPtr spModel);
RBTDLL_EXPORT RbtCrdFileSink(const std::string &fileName,
RbtModelPtr spModel);
virtual ~RbtCrdFileSink(); // Default destructor
......
......@@ -45,42 +45,46 @@ public:
// Class type string
static std::string _CT;
RbtDockingSite(const RbtCavityList &cavList, double border);
RBTDLL_EXPORT RbtDockingSite(const RbtCavityList &cavList, double border);
RBTDLL_EXPORT RbtDockingSite(std::istream &istr);
// Destructor
virtual ~RbtDockingSite();
// Insertion operator
friend std::ostream &operator<<(std::ostream &s, const RbtDockingSite &site);
RBTDLL_EXPORT friend std::ostream &operator<<(std::ostream &s,
const RbtDockingSite &site);
// Virtual function for dumping docking site details to an output stream
// Derived classes can override if required
virtual void Print(std::ostream &s) const;
// Public methods
void Read(std::istream &istr); // Reads docking site from binary stream
void Write(std::ostream &ostr); // Writes docking site to binary stream
void Read(std::istream &istr); // Reads docking site from binary stream
RBTDLL_EXPORT void
Write(std::ostream &ostr); // Writes docking site to binary stream
RbtRealGridPtr GetGrid();
RBTDLL_EXPORT RbtRealGridPtr GetGrid();
double GetBorder() const { return m_border; }
RbtCoord GetMinCoord() const { return m_minCoord; }
RbtCoord GetMaxCoord() const { return m_maxCoord; }
RbtCavityList GetCavityList() const { return m_cavityList; }
int GetNumCavities() const { return m_cavityList.size(); }
double GetVolume() const; // returns total volume of all cavities in A^3
RBTDLL_EXPORT double
GetVolume() const; // returns total volume of all cavities in A^3
// Returns the combined coord lists of all the cavities
void GetCoordList(RbtCoordList &retVal) const;
// Filters an atom list according to distance from the cavity coords
// Only returns atoms within minDist and maxDist from cavity
RbtAtomList GetAtomList(const RbtAtomList &atomList, double minDist,
double maxDist);
RBTDLL_EXPORT RbtAtomList GetAtomList(const RbtAtomList &atomList,
double minDist, double maxDist);
// Filters an atom list according to distance from the cavity coords
// Only returns atoms within maxDist from cavity
// This version does not require the cavity grid
RbtAtomList GetAtomList(const RbtAtomList &atomList, double maxDist);
RBTDLL_EXPORT RbtAtomList GetAtomList(const RbtAtomList &atomList,
double maxDist);
// Returns the count of atoms within minDist and maxDist from cavity
unsigned int GetNumAtoms(const RbtAtomList &atomList, double minDist,
double maxDist);
......
......@@ -54,7 +54,7 @@ public:
////////////////////////////////////////
// Public methods
std::string GetTitle();
RBTDLL_EXPORT std::string GetTitle();
std::string GetVersion();
unsigned int GetNumElements();
RbtStringList GetElementNameList(); // List of element names
......
......@@ -26,7 +26,7 @@ class RbtFilterExpressionVisitor;
class RbtFilter : public RbtBaseObject {
public:
static std::string _CT;
RbtFilter(std::string strfilter, bool filter = false);
RBTDLL_EXPORT RbtFilter(std::string strfilter, bool filter = false);
///////////////////
// Destructor
//////////////////
......@@ -35,11 +35,11 @@ public:
// Notify observer that subject has changed
virtual void Update(RbtSubject *theChangedSubject);
void SetupReceptor(); // Called by Update when receptor is changed
void SetupLigand(); // Called by Update when ligand is changed
void SetupScore(); // Called by Update when either model has changed
bool Write(); // Output conformation?
bool Terminate(); // Finished with ligand?
void SetupReceptor(); // Called by Update when receptor is changed
void SetupLigand(); // Called by Update when ligand is changed
void SetupScore(); // Called by Update when either model has changed
RBTDLL_EXPORT bool Write(); // Output conformation?
RBTDLL_EXPORT bool Terminate(); // Finished with ligand?
RbtModelPtr GetReceptor() const;
RbtModelPtr GetLigand() const;
void SetMaxNRuns(int n) { maxnruns = n; }
......
......@@ -48,7 +48,7 @@ class RbtMOEGridPoint {
public:
// default ctor with a 1D gridpoint at 0.0 value 1.0
// see also default ctor for the shape and data vector below
RbtMOEGridPoint();
RBTDLL_EXPORT RbtMOEGridPoint();
// parametrized ctor when supplying data as a vector + value pair
RbtMOEGridPoint(std::vector<double>, double);
// parametrized ctor getting coord values from RbtCoord (default 3D
......@@ -87,7 +87,8 @@ public:
// parametrized ctor receives grid as the origin vector, the extent
// vector and stepsize
RbtMOEGridShape(std::vector<double>, std::vector<double>, double);
RBTDLL_EXPORT RbtMOEGridShape(std::vector<double>, std::vector<double>,
double);
const std::vector<double> &GetOrigin() { return origin; }
const std::vector<double> &GetExtents() { return extents; }
......@@ -109,7 +110,7 @@ class RbtMOEGrid {
RbtCoord c_min, c_max; // current extent min and max coords
public:
// default ctor
RbtMOEGrid();
RBTDLL_EXPORT RbtMOEGrid();
// parameterised ctor for a single grid
// pass shape, data and outfilename
RbtMOEGrid(RbtMOEGridShape &, RbtMOEGridData &, std::string);
......@@ -119,14 +120,15 @@ public:
void SetData(RbtMOEGridData &a_data) { myData = a_data; }
void SetOutputFileName(std::string &a_filename) { stream_name = a_filename; }
// methods to calculate grid extents
void CalculateCommonExtents(std::vector<std::string> strPrmFiles); // for all
void GetDockingSiteExtents(std::string &a_strPrmFile); // for a single
RBTDLL_EXPORT void
CalculateCommonExtents(std::vector<std::string> strPrmFiles); // for all
void GetDockingSiteExtents(std::string &a_strPrmFile); // for a single
// get methods
RbtCoord GetMinExtents() { return min; }
RbtCoord GetMaxExtents() { return max; }
// iofstream methods
long WriteGrid(
RBTDLL_EXPORT long WriteGrid(
std::ios_base::openmode mode); // returns the number of points written
long ReadGrid(); // ditto (fields read)
};
......
......@@ -32,11 +32,11 @@ public:
//////////////////////
// Read topology from RbtMolecularFileSource, and coordinates if supported by
// source
RbtModel(RbtBaseMolecularFileSource *pMolSource);
RBTDLL_EXPORT RbtModel(RbtBaseMolecularFileSource *pMolSource);
//(Fairly) temporary constructor taking arbitrary atom and bond lists
// Use with caution
RbtModel(RbtAtomList &atomList, RbtBondList &bondList);
RBTDLL_EXPORT RbtModel(RbtAtomList &atomList, RbtBondList &bondList);
// Default destructor
virtual ~RbtModel();
......@@ -89,14 +89,14 @@ public:
// Query as to whether a particular data field name is present
bool isDataFieldPresent(const std::string &strDataField) const;
// Get a particular data value
RbtVariant GetDataValue(const std::string &strDataField) const;
RBTDLL_EXPORT RbtVariant GetDataValue(const std::string &strDataField) const;
// Set a data value (replaces existing value if field name already exists)
void SetDataValue(const std::string &strDataField,
const RbtVariant &dataValue);
RBTDLL_EXPORT void SetDataValue(const std::string &strDataField,
const RbtVariant &dataValue);
// Removes a data field completely from the data map
void ClearDataField(const std::string &strDataField);
// Removes all data fields starting with a given prefix from the data map
void ClearAllDataFields(const std::string &strDataFieldPrefix);
RBTDLL_EXPORT void ClearAllDataFields(const std::string &strDataFieldPrefix);
// Removes all data fields from the data map
void ClearAllDataFields();
......@@ -143,22 +143,22 @@ public:
void Rotate(const RbtVector &axis, double thetaDeg, const RbtCoord &center);
// Rotate around a given bond by theta degrees (spins both ends of the bond in
// opposite directions)
void RotateBond(RbtBondPtr spBond, double thetaDeg);
RBTDLL_EXPORT void RotateBond(RbtBondPtr spBond, double thetaDeg);
// DM 09 Feb 1999 - Rotate around a given bond by theta degrees, keeping the
// given atom fixed (only spins the other end of the bond)
void RotateBond(RbtBondPtr spBond, double thetaDeg, RbtAtomPtr spFixedAtom);
// DM 25 Feb 1999 - Rotate around a given bond by theta degrees, only spinning
// one end of the bond If bSwap is false, spins the end bonded to atom2 in the
// bond If bSwap is true, spins the end bonded to atom1 in the bond
void RotateBond(RbtBondPtr spBond, double thetaDeg, bool bSwap);
RBTDLL_EXPORT void RotateBond(RbtBondPtr spBond, double thetaDeg, bool bSwap);
// DM 8 Feb 1999
void SaveCoords(const std::string &coordName = "");
void RevertCoords(const std::string &coordName = "");
RBTDLL_EXPORT void RevertCoords(const std::string &coordName = "");
RbtStringIntMap GetSavedCoordNames() const { return m_coordNames; }
int GetNumSavedCoords() const { return m_coordNames.size(); }
int GetCurrentCoords() const { return m_currentCoord; }
void RevertCoords(int);
RBTDLL_EXPORT void RevertCoords(int);
// Returns center of mass of model
RbtCoord GetCenterOfMass() const;
......@@ -167,7 +167,7 @@ public:
// DM 9 Nov 1999
// Returns total atomic mass (molecular weight) for the model
double GetTotalAtomicMass() const;
RBTDLL_EXPORT double GetTotalAtomicMass() const;
// DM 14 Apr 1999 - principal axes methods
// Return principal axes and center of mass for the model
......
......@@ -92,6 +92,7 @@ private:
// Non-member functions
// Insertion operator (primarily for debugging)
std::ostream &operator<<(std::ostream &s, const RbtParamHandler &ph);
RBTDLL_EXPORT std::ostream &operator<<(std::ostream &s,
const RbtParamHandler &ph);
#endif //_RBTPARAMHANDLER_H_
......@@ -29,7 +29,7 @@ public:
////////////////////////////////////////
// Public methods
std::string GetTitle();
RBTDLL_EXPORT std::string GetTitle();
std::string GetVersion();
// DM 06 June 2000 - limit #parameters to those in current section
unsigned int GetNumParameters();
......@@ -37,11 +37,12 @@ public:
// RbtStringDoubleMap GetParameterMap();
// DM 12 Feb 1999 - only return the list of parameter names, not their values
// DM 06 Jun 2000 - limits params to those in named section
RbtStringList GetParameterList();
RBTDLL_EXPORT RbtStringList GetParameterList();
// DM 4 Feb 1999 Get a particular named parameter value as a double
double GetParameterValue(const std::string &strParamName);
// DM 12 Feb 1999 Get a particular named parameter value as a string
std::string GetParameterValueAsString(const std::string &strParamName);
RBTDLL_EXPORT std::string
GetParameterValueAsString(const std::string &strParamName);
// DM 11 Feb 1999 Check if parameter is present
bool isParameterPresent(const std::string &strParamName);
......@@ -55,7 +56,7 @@ public:
int GetNumSections(); // Number of named sections
RbtStringList GetSectionList(); // List of section names
std::string GetSection() const; // Get current section name
void
RBTDLL_EXPORT void
SetSection(const std::string &strSection = ""); // Set current section name
protected:
......
......@@ -44,7 +44,7 @@ namespace Rbt {
RBTDLL_EXPORT RbtPrincipalAxes GetPrincipalAxes(const RbtAtomList &atomList);
// Calculates principal axes and center of mass for the coords in the coord list
// (assumes all masses=1)
RbtPrincipalAxes GetPrincipalAxes(const RbtCoordList &coordList);
RBTDLL_EXPORT RbtPrincipalAxes GetPrincipalAxes(const RbtCoordList &coordList);
// Special case for water
RbtPrincipalAxes GetSolventPrincipalAxes(const RbtAtomPtr &oAtom,
const RbtAtomPtr &h1Atom,
......
......@@ -22,7 +22,8 @@ public:
////////////////////////////////////////
// Constructors/destructors
// RbtPsfFileSink(const char* fileName, RbtModelPtr spModel);
RbtPsfFileSink(const std::string &fileName, RbtModelPtr spModel);
RBTDLL_EXPORT RbtPsfFileSink(const std::string &fileName,
RbtModelPtr spModel);
virtual ~RbtPsfFileSink(); // Default destructor
......
......@@ -33,11 +33,11 @@ public:
// Public methods
// Seed the random number generator
void Seed(int seed = 0);
RBTDLL_EXPORT void Seed(int seed = 0);
// Seed the random number generator from the system clock
void SeedFromClock();
// Returns current seed
int GetSeed();
RBTDLL_EXPORT int GetSeed();
// Get a random double between 0 and 1 (inlined)
double GetRandom01() { return m_rand.fdraw(); }
// Get a random integer between 0 and nMax-1
......
......@@ -25,12 +25,12 @@ public:
////////////////////////////////////////
// Constructors/destructors
// Construct a NXxNYxNZ grid running from gridMin at gridStep resolution
RbtRealGrid(const RbtCoord &gridMin, const RbtCoord &gridStep,
unsigned int NX, unsigned int NY, unsigned int NZ,
unsigned int NPad = 0);
RBTDLL_EXPORT RbtRealGrid(const RbtCoord &gridMin, const RbtCoord &gridStep,
unsigned int NX, unsigned int NY, unsigned int NZ,
unsigned int NPad = 0);
// Constructor reading all params from binary stream
RbtRealGrid(std::istream &istr);
RBTDLL_EXPORT RbtRealGrid(std::istream &istr);
~RbtRealGrid(); // Default destructor
......@@ -85,7 +85,7 @@ public:
// DM 20 Jul 2000 - get values smoothed by trilinear interpolation
// D. Oberlin and H.A. Scheraga, J. Comp. Chem. (1998) 19, 71.
double GetSmoothedValue(const RbtCoord &c) const;
RBTDLL_EXPORT double GetSmoothedValue(const RbtCoord &c) const;
void SetValue(const RbtCoord &c, double val) {
if (isValid(c))
......@@ -101,7 +101,7 @@ public:
}
// Set all grid points to the given value
void SetAllValues(double val);
RBTDLL_EXPORT void SetAllValues(double val);
// Replaces all grid points with a given value (+/- tolerance) with newVal
void ReplaceValue(double oldVal, double newVal) {
ReplaceValueRange(oldVal - m_tol, oldVal + m_tol, newVal);
......@@ -164,7 +164,7 @@ public:
/////////////////////////
// Dump grid in a format readable by Insight
void PrintInsightGrid(std::ostream &s) const;
RBTDLL_EXPORT void PrintInsightGrid(std::ostream &s) const;
protected:
////////////////////////////////////////
......
......@@ -28,7 +28,7 @@ public:
////////////////////////////////////////
// Constructors/destructors
RbtSFFactory(); // Default constructor
RBTDLL_EXPORT RbtSFFactory(); // Default constructor
virtual ~RbtSFFactory(); // Default destructor
......
......@@ -27,8 +27,8 @@ public:
////////////////////////////////////////
// Constructors/destructors
RbtSiteMapperFactory(); // Default constructor
virtual ~RbtSiteMapperFactory(); // Default destructor
RBTDLL_EXPORT RbtSiteMapperFactory(); // Default constructor
virtual ~RbtSiteMapperFactory(); // Default destructor
////////////////////////////////////////
// Public methods
......
......@@ -29,7 +29,7 @@ public:
////////////////////////////////////////
// Constructors/destructors
RbtTransformFactory(); // Default constructor
RBTDLL_EXPORT RbtTransformFactory(); // Default constructor
virtual ~RbtTransformFactory(); // Default destructor
......
......@@ -84,8 +84,8 @@ public:
////////////////////////////////////////
// Constructors/destructors
RbtTriposAtomType();
virtual ~RbtTriposAtomType();
RBTDLL_EXPORT RbtTriposAtomType();
RBTDLL_EXPORT virtual ~RbtTriposAtomType();
////////////////////////////////////////
// Public methods
......@@ -96,13 +96,13 @@ public:
// are used
eType operator()(RbtAtom *pAtom, bool useExtendedTypes = false) const;
// Converts Tripos type to string
std::string Type2Str(eType) const;
RBTDLL_EXPORT std::string Type2Str(eType) const;
// Get hybridisation from Tripos type
int Type2Hybrid(eType) const;
// Get atomic number from Tripos type
int Type2AtomicNo(eType) const;
// Converts string to Tripos type
eType Str2Type(const std::string &) const;
RBTDLL_EXPORT eType Str2Type(const std::string &) const;
protected:
////////////////////////////////////////
......
......@@ -22,6 +22,9 @@ class RbtVdwGridSF : public RbtBaseInterSF {
public:
// Class type string
static std::string _CT;
RBTDLL_EXPORT static std::string &GetCt();
// Parameter names
static std::string _GRID; // Suffix for grid filename
static std::string _SMOOTHED; // Controls whether to smooth the grid values
......
......@@ -51,8 +51,8 @@ public:
////////////////
// Get/set workspace name
std::string GetName() const;
void SetName(const std::string &);
RBTDLL_EXPORT std::string GetName() const;
RBTDLL_EXPORT void SetName(const std::string &);
// Model handling
......@@ -92,7 +92,7 @@ public:
virtual void Save(bool bSaveScores = true);
// Get/set the history file sink
RbtMolecularFileSinkPtr GetHistorySink() const;
void SetHistorySink(RbtMolecularFileSinkPtr);
RBTDLL_EXPORT void SetHistorySink(RbtMolecularFileSinkPtr);
// Saves models to file sink
// If bSaveScores is true, write component scores also
// Base workspace does nothing
......@@ -127,7 +127,7 @@ public:
// BGD 27 Jan 2003 - SetFilter automotically registers the Filter
// with the workspace
RbtFilterPtr GetFilter() const;
void SetFilter(RbtFilterPtr spFilter);
RBTDLL_EXPORT void SetFilter(RbtFilterPtr spFilter);
protected:
////////////////////////////////////////
......
......@@ -88,7 +88,7 @@ int main(int argc, char *argv[]) {
// Add null character to end of string
header[length] = '\0';
// Compare title with
bool match = (RbtVdwGridSF::_CT == header);
bool match = (RbtVdwGridSF::GetCt() == header);
delete[] header;
if (!match) {
throw RbtFileParseError(_WHERE_,
......
......@@ -19,6 +19,8 @@ std::string RbtVdwGridSF::_CT("RbtVdwGridSF");
std::string RbtVdwGridSF::_GRID("GRID");
std::string RbtVdwGridSF::_SMOOTHED("SMOOTHED");
std::string &RbtVdwGridSF::GetCt() { return _CT; }
// NB - Virtual base class constructor (RbtBaseSF) gets called first,
// implicit constructor for RbtBaseInterSF is called second
RbtVdwGridSF::RbtVdwGridSF(const std::string &strName)
......
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