A meta features reporter reports information about the batch of structures and the protocol that was used to generate it.
A protocol is represented as all the information necessary to reproduce the results of the Rosetta application execution. The features associated of each application execution are ultimately linked with a single row in the protocols table through the BatchFeatures reporter.
CREATE TABLE IF NOT EXISTS protocols (
protocol_id INTEGER PRIMARY KEY AUTOINCREMENT,
command_line TEXT,
specified_options TEXT,
svn_url TEXT,
svn_version TEXT,
script TEXT);
CREATE TABLE IF NOT EXISTS batches (
batch_id INTEGER PRIMARY KEY AUTOINCREMENT,
protocol_id INTEGER,
name TEXT,
description TEXT,
FOREIGN KEY (protocol_id) REFERENCES protocols(protocol_id) DEFERRABLE INITIALLY DEFERRED));
Store string , string - string , and string - real data associated with a job. As an example, the ligand docking code this way when it uses the DatabaseJobOutputter.
CREATE TABLE IF NOT EXISTS string_data (
struct_id INTEGER,
data_key TEXT,
FOREIGN KEY (struct_id) REFERENCES structures(struct_id) DEFERRABLE INITIALLY DEFERRED,
PRIMARY KEY (struct_id, data_key));
CREATE TABLE IF NOT EXISTS string_string_data (
struct_id INTEGER,
data_key TEXT,
data_value TEXT,
FOREIGN KEY (struct_id) REFERENCES structures(struct_id) DEFERRABLE INITIALLY DEFERRED,
PRIMARY KEY (struct_id, data_key));
CREATE TABLE IF NOT EXISTS string_real_data (
struct_id INTEGER,
data_key TEXT,
data_value REAL,
FOREIGN KEY (struct_id) REFERENCES structures(struct_id) DEFERRABLE INITIALLY DEFERRED,
PRIMARY KEY (struct_id, data_key));
Arbitrary textual information may be associated with a pose in the form of (key, val) comments. The PoseCommentsFeatures reporter stores this information as a feature.
CREATE TABLE IF NOT EXISTS pose_comments (
struct_id INTEGER,
key TEXT,
value TEXT,
FOREIGN KEY (struct_id) REFERENCES structures (struct_id) DEFERRABLE INITIALLY DEFERRED,
PRIMARY KEY(struct_id, key));
Report how much time it took for each structure to be processed. The database is populated with two fields: a string 'timestamp' telling the date & time when the protocol started and an integer 'elapsed_time' telling the number of seconds that elapsed while the protocol was running.
Example:
<RuntimeFeatures/>
Options: None
Schema:
CREATE TABLE `runtimes` (
`struct_id` bigint(20) NOT NULL DEFAULT '0',
`timestamp` varchar(20) DEFAULT NULL,
`elapsed_time` int(11) DEFAULT NULL,
PRIMARY KEY (`struct_id`),
FOREIGN KEY (`struct_id`) REFERENCES `structures` (`struct_id`)
)