OpenStructure
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Namespaces | |
namespace | bindings |
namespace | conop |
namespace | db |
namespace | dng_startup |
namespace | geom |
namespace | gfx |
namespace | gui |
namespace | img |
namespace | info |
namespace | io |
namespace | mol |
namespace | ost_startup |
namespace | seq |
namespace | settings |
namespace | stutil |
namespace | table |
namespace | table_selector |
namespace | testutils |
namespace | xmlrunner |
Data Structures | |
class | ConstGenericPropContainer |
class | Error |
class | FileLogSink |
class | FixedString |
class | GenericPropContainer |
class | GenericPropContainerImpl |
struct | GenericPropError |
class | IntegrityError |
class | InvalidHandle |
class | Logger |
class | LogSink |
class | MultiLogSink |
class | PagedArray |
struct | PairToTupleConverter |
class | PodVector |
class | Profile |
struct | Range |
class | StreamLogSink |
class | StringLogSink |
class | StringRef |
class | TriMatrix |
struct | Units |
struct | VectorToListConverter |
Typedefs | |
typedef boost::variant< String, Real, int, bool, geom::Vec3 > | GenericPropValue |
typedef std::stack< LogSinkPtr > | LogSinkStack |
typedef boost::shared_ptr< LogSink > | LogSinkPtr |
typedef boost::shared_ptr< StringLogSink > | StringLogSinkPtr |
typedef boost::shared_ptr< FileLogSink > | FileLogSinkPtr |
typedef boost::shared_ptr< MultiLogSink > | MultiLogSinkPtr |
Functions | |
template<typename T , typename F > | |
boost::shared_ptr< T > | dyn_cast (F f) |
template<typename H > | |
void | CheckHandleValidity (const H &handle) |
void DLLEXPORT_OST_BASE | SetPrefixPath (const String &prefix) |
String DLLEXPORT_OST_BASE | GetPrefixPath () |
String DLLEXPORT_OST_BASE | GetSharedDataPath () |
DLLEXPORT_OST_BASE std::ostream & | operator<< (std::ostream &stream, const StringRef &strref) |
bool DLLEXPORT_OST_BASE | compare_files (const String &test, const String &gold_standard, const std::unordered_set< int > &ignore_line={}) |
_GetPrefixFromPythonPath () | |
_SetupOstPrefix () | |
_TrySetCompoundsLib (path) | |
_SetupCompoundsLib () | |
typedef boost::shared_ptr<FileLogSink> FileLogSinkPtr |
Definition at line 89 of file log_sink.hh.
typedef boost::variant<String, Real, int, bool, geom::Vec3> GenericPropValue |
Definition at line 50 of file generic_property.hh.
typedef boost::shared_ptr<LogSink> LogSinkPtr |
Definition at line 42 of file log_sink.hh.
typedef std::stack<LogSinkPtr> LogSinkStack |
typedef boost::shared_ptr<MultiLogSink> MultiLogSinkPtr |
Definition at line 102 of file log_sink.hh.
typedef boost::shared_ptr<StringLogSink> StringLogSinkPtr |
Definition at line 70 of file log_sink.hh.
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protected |
Get the prefix from this file's path
Definition at line 37 of file __init__.py.
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protected |
This function sets up the compound lib. By order of priority, the following heuristics are used: 1. The $OST_COMPOUNDS_CHEMLIB environment variable 2. The 'compounds.chemlib' file in the shared path under the folder pointed by the $OST_ROOT environment variable 3. The 'compounds.chemlib' file in the shared path under the OST prefix where the ost python module is installed. If no compound library can be loaded with any of these strategies, a warning message is issued.
Definition at line 75 of file __init__.py.
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protected |
This function attempts to set the OST prefix path if $OST_ROOT was not set already. It does so by assuming that the __init__.py file is located under $OST_ROOT/lib(64)?/pythonX.XX/site-packages/ost. This might not be the case in all settings (conda, pip?). In that case this function should be adapted.
Definition at line 45 of file __init__.py.
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protected |
Tries to set the compound lib to 'path', or raises a ValueError.
Definition at line 65 of file __init__.py.
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inline |
Definition at line 38 of file invalid_handle.hh.
bool DLLEXPORT_OST_BASE compare_files | ( | const String & | test, |
const String & | gold_standard, | ||
const std::unordered_set< int > & | ignore_line = {} |
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) |
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inline |
a convenient shortcut for the painfully long boost::dynamic_pointer_cast
Definition at line 29 of file dyn_cast.hh.
String DLLEXPORT_OST_BASE GetPrefixPath | ( | ) |
get the path prefix
String DLLEXPORT_OST_BASE GetSharedDataPath | ( | ) |
DLLEXPORT_OST_BASE std::ostream & operator<< | ( | std::ostream & | stream, |
const StringRef & | strref | ||
) |
void DLLEXPORT_OST_BASE SetPrefixPath | ( | const String & | prefix | ) |
set path prefix