addMonomericPolymer(MonomericPolymer mp) | BALL::NMRStarFile | |
assignShifts(BALLToBMRBMapper &ball_to_bmrb_mapping) | BALL::NMRStarFile | |
assignShifts(AtomContainer &ac, const String &chemical_unit, const String &aligned_ball_sequence, const String &aligned_nmrstar_sequence) | BALL::NMRStarFile | |
CIFFile() | BALL::CIFFile | |
CIFFile(const String &filename, File::OpenMode open_mode=std::ios::in) | BALL::CIFFile | |
clear() | BALL::NMRStarFile | virtual |
clearParameters() | BALL::CIFFile | |
close() | BALL::File | |
copy(String source_name, String destination_name, Size buffer_size=4096) | BALL::File | static |
copyTo(const String &destination_name, Size buffer_size=4096) | BALL::File | |
created_temp_filenames_ | BALL::File | protectedstatic |
createTemporaryFilename(String &temporary, const String &suffix=".TMP") | BALL::File | static |
current_datablock_ | BALL::CIFFile | protected |
current_item_ | BALL::CIFFile | protected |
current_saveframe_ | BALL::CIFFile | protected |
datablocks_ | BALL::CIFFile | protected |
datablocks_hash_ | BALL::CIFFile | protected |
disableTransformation(Transformation transformation) | BALL::File | static |
enableTransformation(Transformation transformation) | BALL::File | static |
File() | BALL::File | |
File(const String &name, OpenMode open_mode=std::ios::in) | BALL::File | |
FLOAT_VALUE_NA | BALL::NMRStarFile | static |
getChemicalUnitByLabel(String const &label) const | BALL::NMRStarFile | |
getChemicalUnitByLabel(String const &label) | BALL::NMRStarFile | |
getDatablock(const String &name) const | BALL::CIFFile | |
getDatablock(const String &name) | BALL::CIFFile | |
getEntryInformation() const | BALL::NMRStarFile | inline |
getFileStream() | BALL::File | |
getMolecularInformation() const | BALL::NMRStarFile | inline |
getMolecularInformation() | BALL::NMRStarFile | inline |
getMonomericPolymer(Position i) | BALL::NMRStarFile | |
getMonomericPolymer(Position i) const | BALL::NMRStarFile | |
getMonomericPolymer(const String &name) | BALL::NMRStarFile | |
getMonomericPolymer(const String &name) const | BALL::NMRStarFile | |
getMonomericPolymers() const | BALL::NMRStarFile | inline |
getName() const | BALL::File | |
getNMRData() const | BALL::NMRStarFile | |
getNMRSpectrometer(Position i) | BALL::NMRStarFile | |
getNMRSpectrometer(Position i) const | BALL::NMRStarFile | |
getNMRSpectrometerByName(String name) | BALL::NMRStarFile | |
getNMRSpectrometerByName(String name) const | BALL::NMRStarFile | |
getNMRSpectrometerFieldStrength(Position i) const | BALL::NMRStarFile | |
getNMRSpectrometerManufacturer(Position i) const | BALL::NMRStarFile | |
getNMRSpectrometers() | BALL::NMRStarFile | inline |
getNMRSpectrometers() const | BALL::NMRStarFile | inline |
getNumberOfAtoms() const | BALL::NMRStarFile | |
getNumberOfMonomericPolymers() const | BALL::NMRStarFile | inline |
getNumberOfNMRSpectrometers() const | BALL::NMRStarFile | inline |
getNumberOfSampleConditions() const | BALL::NMRStarFile | inline |
getNumberOfSamples() const | BALL::NMRStarFile | inline |
getNumberOfShiftReferenceSets() const | BALL::NMRStarFile | inline |
getNumberOfShiftsAssigned() const | BALL::NMRStarFile | inline |
getOpenMode() const | BALL::File | |
getOriginalName() const | BALL::File | |
getResidueSequence(Position i=0) const | BALL::NMRStarFile | |
getSample(Position i) const | BALL::NMRStarFile | |
getSample(String label) const | BALL::NMRStarFile | |
getSampleCondition(Position i) | BALL::NMRStarFile | inline |
getSampleCondition(Position i) const | BALL::NMRStarFile | inline |
getSampleConditionByName(String name) | BALL::NMRStarFile | |
getSampleConditionByName(String name) const | BALL::NMRStarFile | |
getSampleConditions() const | BALL::NMRStarFile | inline |
getSampleConditions() | BALL::NMRStarFile | inline |
getSamples() const | BALL::NMRStarFile | inline |
getShiftReferenceSet(Position i) | BALL::NMRStarFile | inline |
getShiftReferenceSet(Position i) const | BALL::NMRStarFile | inline |
getShiftReferenceSetByName(String name) const | BALL::NMRStarFile | |
getShiftReferenceSetByName(String name) | BALL::NMRStarFile | |
getShiftReferenceSets() | BALL::NMRStarFile | inline |
getShiftReferenceSets() const | BALL::NMRStarFile | inline |
getSize() | BALL::File | |
getSize(String name) | BALL::File | static |
getTransformationManager() | BALL::File | |
getTransformationManager() const | BALL::File | |
getType(String name, bool trace_link) | BALL::File | static |
getType(bool trace_link) const | BALL::File | |
hasCshifts() const | BALL::NMRStarFile | inline |
hasDatablock(const String &name) const | BALL::CIFFile | |
hasHshifts() const | BALL::NMRStarFile | inline |
hasMonomericPolymer(String name) const | BALL::NMRStarFile | |
hasNshifts() const | BALL::NMRStarFile | inline |
hasSample(String label) const | BALL::NMRStarFile | |
hasSampleCondition(String name) | BALL::NMRStarFile | |
hasSampleCondition(String name) const | BALL::NMRStarFile | |
hasShiftReferenceSet(String name) | BALL::NMRStarFile | |
inDatablock(const char *name) | BALL::CIFFile | |
inItem(const char *name) | BALL::CIFFile | |
initRead_() | BALL::CIFFile | protectedvirtual |
inSafeframe(const char *name) | BALL::CIFFile | |
insertDatablock(const Datablock &datablock) | BALL::CIFFile | |
INT_VALUE_NA | BALL::NMRStarFile | static |
is_open_ | BALL::File | protected |
is_temporary_ | BALL::File | protected |
isAccessible(String name) | BALL::File | static |
isAccessible() const | BALL::File | |
isCanonized() const | BALL::File | |
isClosed() const | BALL::File | |
isExecutable(String name) | BALL::File | static |
isExecutable() const | BALL::File | |
isMonomericPolymer(String chemical_unit_label) | BALL::NMRStarFile | |
isOpen() const | BALL::File | |
isReadable(String name) | BALL::File | static |
isReadable() const | BALL::File | |
isTransformationEnabled(Transformation transformation) | BALL::File | static |
isValid() const | BALL::File | |
isWritable(String name) | BALL::File | static |
isWritable() const | BALL::File | |
MODE_APP | BALL::File | static |
MODE_ATE | BALL::File | static |
MODE_BINARY | BALL::File | static |
MODE_IN | BALL::File | static |
MODE_OUT | BALL::File | static |
MODE_TRUNC | BALL::File | static |
molecule_ | BALL::CIFFile | protected |
move(const String &source_name, const String &destination_name) | BALL::File | static |
moveTo(const String &destination_name) | BALL::File | |
name_ | BALL::File | protected |
NMRStarFile() | BALL::NMRStarFile | |
NMRStarFile(const String &file_name, File::OpenMode open_mode=std::ios::in) | BALL::NMRStarFile | |
open(const String &name, File::OpenMode open_mode=std::ios::in) | BALL::File | |
open_mode_ | BALL::File | protected |
OpenMode typedef | BALL::File | |
operator!=(const NMRStarFile &f) const | BALL::NMRStarFile | |
BALL::CIFFile::operator!=(const File &file) const | BALL::File | |
operator==(const NMRStarFile &f) const | BALL::NMRStarFile | |
BALL::CIFFile::operator==(const File &file) const | BALL::File | |
original_name_ | BALL::File | protected |
POSITION_VALUE_NA | BALL::NMRStarFile | static |
read() | BALL::NMRStarFile | virtual |
read(AtomContainer &ac) | BALL::NMRStarFile | |
registerTransformation(const String &pattern, const String &exec) | BALL::File | static |
remove(String name) | BALL::File | static |
remove() | BALL::File | |
rename(String old_path, String new_path) | BALL::File | static |
renameTo(const String &new_path) | BALL::File | |
reopen() | BALL::File | |
reopen(File::OpenMode open_mode) | BALL::File | |
setMolecule(Molecule *molecule) | BALL::CIFFile | |
setName(const String &name) | BALL::File | |
state | BALL::CIFFile | static |
Transformation enum name | BALL::File | |
TRANSFORMATION__EXEC enum value | BALL::File | |
TRANSFORMATION__FILTER enum value | BALL::File | |
TRANSFORMATION__URL enum value | BALL::File | |
TRANSFORMATION_EXEC_PREFIX | BALL::File | static |
TRANSFORMATION_FILE_PREFIX | BALL::File | static |
TRANSFORMATION_FTP_PREFIX | BALL::File | static |
TRANSFORMATION_HTTP_PREFIX | BALL::File | static |
transformation_manager_ | BALL::File | protectedstatic |
transformation_methods_ | BALL::File | protectedstatic |
truncate(String path, Size size=0) | BALL::File | static |
truncate(Size size=0) | BALL::File | |
Type enum name | BALL::File | |
TYPE__BLOCK_SPECIAL_FILE enum value | BALL::File | |
TYPE__CHAR_SPECIAL_FILE enum value | BALL::File | |
TYPE__DIRECTORY enum value | BALL::File | |
TYPE__FIFO_SPECIAL_FILE enum value | BALL::File | |
TYPE__REGULAR_FILE enum value | BALL::File | |
TYPE__SOCKET enum value | BALL::File | |
TYPE__SYMBOLIC_LINK enum value | BALL::File | |
TYPE__UNKNOWN enum value | BALL::File | |
unregisterTransformation(const String &pattern) | BALL::File | static |
write() | BALL::CIFFile | virtual |
~CIFFile() | BALL::CIFFile | virtual |
~File() | BALL::File | virtual |
~NMRStarFile() | BALL::NMRStarFile | |